2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine

C18H23NO — CID 102940419

IUPAC2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
SMILESCNCC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-19-13-18(12-16-8-4-2-5-9-16)15-20-14-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyDAYWVXYUMSLFAR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.28
Rot. Bonds8

About 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine

2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine (PubChem CID 102940419) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
PubChem CID102940419
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
SMILESCNCC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO/c1-19-13-18(12-16-8-4-2-5-9-16)15-20-14-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyDAYWVXYUMSLFAR-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
2-benzyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106705871
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-benzyloctoxymethylbenzene
CID 134979791
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
2-benzyl-N-methylhexan-1-amine
CID 62529253

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine (CID 102940419) is 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine is CNCC(COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine?
The InChIKey is DAYWVXYUMSLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-13-18(12-16-8-4-2-5-9-16)15-20-14-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3.
What are the key properties of 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine?
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).