N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

C20H27Cl2NO2 — CID 17208807

IUPACN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1ccccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C20H26ClNO2.ClH/c1-16(2)23-13-7-12-22-14-17-8-4-6-11-20(17)24-15-18-9-3-5-10-19(18)21;/h3-6,8-11,16,22H,7,12-15H2,1-2H3;1H
InChIKeyFAZZGRYPVWCAET-UHFFFAOYSA-N
MW384.35 g/mol
LogP5.25
Rot. Bonds10

About N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 17208807) has the molecular formula C20H27Cl2NO2 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID17208807
Molecular FormulaC20H27Cl2NO2
Molecular Weight384.35 g/mol
Exact Mass383.14
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1ccccc1OCc1ccccc1Cl.Cl
InChIInChI=1S/C20H26ClNO2.ClH/c1-16(2)23-13-7-12-22-14-17-8-4-6-11-20(17)24-15-18-9-3-5-10-19(18)21;/h3-6,8-11,16,22H,7,12-15H2,1-2H3;1H
InChIKeyFAZZGRYPVWCAET-UHFFFAOYSA-N
XLogP5.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.35
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66532777
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17206139
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 115634734
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
CID 39431642
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (CID 17208807) is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is CC(C)OCCCNCc1ccccc1OCc1ccccc1Cl.Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is FAZZGRYPVWCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2.ClH/c1-16(2)23-13-7-12-22-14-17-8-4-6-11-20(17)24-15-18-9-3-5-10-19(18)21;/h3-6,8-11,16,22H,7,12-15H2,1-2H3;1H.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 384.35 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17208807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).