N-benzyl-2-(3-chlorophenoxy)propan-1-amine

C16H18ClNO — CID 55053571

IUPACN-benzyl-2-(3-chlorophenoxy)propan-1-amine
SMILESCC(CNCc1ccccc1)Oc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-13(19-16-9-5-8-15(17)10-16)11-18-12-14-6-3-2-4-7-14/h2-10,13,18H,11-12H2,1H3
InChIKeyQJZPJXQNFVGIBU-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.90
Rot. Bonds6

About N-benzyl-2-(3-chlorophenoxy)propan-1-amine

N-benzyl-2-(3-chlorophenoxy)propan-1-amine (PubChem CID 55053571) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-benzyl-2-(3-chlorophenoxy)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-chlorophenoxy)propan-1-amine
PubChem CID55053571
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-benzyl-2-(3-chlorophenoxy)propan-1-amine
SMILESCC(CNCc1ccccc1)Oc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-13(19-16-9-5-8-15(17)10-16)11-18-12-14-6-3-2-4-7-14/h2-10,13,18H,11-12H2,1H3
InChIKeyQJZPJXQNFVGIBU-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-[[4-[(2-phenoxypropylamino)methyl]phenyl]methyl]methanesulfonamide
CID 123528234
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chlorophenoxy)propan-1-amine?
The IUPAC name of N-benzyl-2-(3-chlorophenoxy)propan-1-amine (CID 55053571) is N-benzyl-2-(3-chlorophenoxy)propan-1-amine.
What is the SMILES notation for N-benzyl-2-(3-chlorophenoxy)propan-1-amine?
The canonical SMILES for N-benzyl-2-(3-chlorophenoxy)propan-1-amine is CC(CNCc1ccccc1)Oc1cccc(Cl)c1.
What is the InChIKey of N-benzyl-2-(3-chlorophenoxy)propan-1-amine?
The InChIKey is QJZPJXQNFVGIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-13(19-16-9-5-8-15(17)10-16)11-18-12-14-6-3-2-4-7-14/h2-10,13,18H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(3-chlorophenoxy)propan-1-amine?
N-benzyl-2-(3-chlorophenoxy)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chlorophenoxy)propan-1-amine is sourced from PubChem (CID 55053571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).