2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine

C18H23NO — CID 4721452

IUPAC2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)19-13-16-10-7-11-17(12-16)20-14-15-8-5-4-6-9-15/h4-12,19H,13-14H2,1-3H3
InChIKeyHHGIJAONAWPJNQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds5

About 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine

2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine (PubChem CID 4721452) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
PubChem CID4721452
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)19-13-16-10-7-11-17(12-16)20-14-15-8-5-4-6-9-15/h4-12,19H,13-14H2,1-3H3
InChIKeyHHGIJAONAWPJNQ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985
N-[[3-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63056052
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-[[3-[(E)-but-2-enoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55148751
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine (CID 4721452) is 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine is CC(C)(C)NCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine?
The InChIKey is HHGIJAONAWPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,3)19-13-16-10-7-11-17(12-16)20-14-15-8-5-4-6-9-15/h4-12,19H,13-14H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine?
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 4721452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).