N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

C13H21Cl2NO — CID 17206435

IUPACN-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-11(2)16-9-3-8-15-10-12-4-6-13(14)7-5-12;/h4-7,11,15H,3,8-10H2,1-2H3;1H
InChIKeyULGYJPRXDLLPTB-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.67
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 17206435) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID17206435
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCC(C)OCCCNCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-11(2)16-9-3-8-15-10-12-4-6-13(14)7-5-12;/h4-7,11,15H,3,8-10H2,1-2H3;1H
InChIKeyULGYJPRXDLLPTB-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
4-[(3-propan-2-yloxypropylamino)methyl]benzoic acid
CID 17207100
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208829
N-[(3-chloro-4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106833872
4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 106009810
4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
1-(4-chlorophenyl)-2-(3-propan-2-yloxypropylamino)ethanol
CID 82312948
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207031
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (CID 17206435) is N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is CC(C)OCCCNCc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is ULGYJPRXDLLPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO.ClH/c1-11(2)16-9-3-8-15-10-12-4-6-13(14)7-5-12;/h4-7,11,15H,3,8-10H2,1-2H3;1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 278.22 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17206435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).