1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine

C17H19ClN2O — CID 135164635

IUPAC1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine
SMILESClc1ccc(Oc2cccc(CNCC3CNC3)c2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-4-6-16(7-5-15)21-17-3-1-2-13(8-17)9-19-10-14-11-20-12-14/h1-8,14,19-20H,9-12H2
InChIKeyZDPMYSYRPFJSFU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.44
Rot. Bonds6

About 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine

1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine (PubChem CID 135164635) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine
PubChem CID135164635
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine
SMILESClc1ccc(Oc2cccc(CNCC3CNC3)c2)cc1
InChIInChI=1S/C17H19ClN2O/c18-15-4-6-16(7-5-15)21-17-3-1-2-13(8-17)9-19-10-14-11-20-12-14/h1-8,14,19-20H,9-12H2
InChIKeyZDPMYSYRPFJSFU-UHFFFAOYSA-N
XLogP3.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17151664
1-(azetidin-3-yl)-N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]methanamine
CID 135174816
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)ethanamine
CID 115207850
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
1-(azetidin-3-yl)-N-[[3-[(2-bromo-3-pyridinyl)methoxy]phenyl]methyl]methanamine
CID 135164649
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
3-[4-[[[3-(4-chlorophenoxy)phenyl]methylamino]methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 44534297
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164752
N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174667
(3aS,6aR)-2-[[3-(4-chlorophenoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599409

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine (CID 135164635) is 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine is Clc1ccc(Oc2cccc(CNCC3CNC3)c2)cc1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine?
The InChIKey is ZDPMYSYRPFJSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-4-6-16(7-5-15)21-17-3-1-2-13(8-17)9-19-10-14-11-20-12-14/h1-8,14,19-20H,9-12H2.
What are the key properties of 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine?
1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine has a molecular weight of 302.81 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 135164635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).