N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine

C19H24N2O — CID 129211083

IUPACN-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
SMILESCNCC1CCN1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-20-13-18-10-11-21(18)14-17-8-5-9-19(12-17)22-15-16-6-3-2-4-7-16/h2-9,12,18,20H,10-11,13-15H2,1H3
InChIKeyDKQYAYKPGFAUQM-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.06
Rot. Bonds7

About N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine

N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine (PubChem CID 129211083) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
PubChem CID129211083
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
SMILESCNCC1CCN1Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-20-13-18-10-11-21(18)14-17-8-5-9-19(12-17)22-15-16-6-3-2-4-7-16/h2-9,12,18,20H,10-11,13-15H2,1H3
InChIKeyDKQYAYKPGFAUQM-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 155535418
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
(1R,8aS)-1-cyclohexyl-2-[(3-phenylmethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7464151
(1S,8aS)-1-cyclohexyl-2-[(3-phenylmethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1353367
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]methanamine
CID 51628103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine (CID 129211083) is N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine is CNCC1CCN1Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine?
The InChIKey is DKQYAYKPGFAUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-13-18-10-11-21(18)14-17-8-5-9-19(12-17)22-15-16-6-3-2-4-7-16/h2-9,12,18,20H,10-11,13-15H2,1H3.
What are the key properties of N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine?
N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine has a molecular weight of 296.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine is sourced from PubChem (CID 129211083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).