N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine

C15H23Cl2NO2 — CID 17209034

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCCOC(C)C
InChIInChI=1S/C15H23Cl2NO2/c1-4-19-15-12(8-13(16)9-14(15)17)10-18-6-5-7-20-11(2)3/h8-9,11,18H,4-7,10H2,1-3H3
InChIKeyQTMQAEROOQXKFN-UHFFFAOYSA-N
MW320.26 g/mol
LogP4.30
Rot. Bonds9

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 17209034) has the molecular formula C15H23Cl2NO2 and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID17209034
Molecular FormulaC15H23Cl2NO2
Molecular Weight320.26 g/mol
Exact Mass319.11
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCCOC(C)C
InChIInChI=1S/C15H23Cl2NO2/c1-4-19-15-12(8-13(16)9-14(15)17)10-18-6-5-7-20-11(2)3/h8-9,11,18H,4-7,10H2,1-3H3
InChIKeyQTMQAEROOQXKFN-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208622
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine (CID 17209034) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine is CCOc1c(Cl)cc(Cl)cc1CNCCCOC(C)C.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is QTMQAEROOQXKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO2/c1-4-19-15-12(8-13(16)9-14(15)17)10-18-6-5-7-20-11(2)3/h8-9,11,18H,4-7,10H2,1-3H3.
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 320.26 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 17209034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).