N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene

C31H35NO2 — CID 70442931

IUPACN-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
SMILESCCC(c1ccccc1OC)c1ccccc1OC.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C17H20O2.C14H15N/c1-4-13(14-9-5-7-11-16(14)18-2)15-10-6-8-12-17(15)19-3;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-13H,4H2,1-3H3;1-10,15H,11-12H2
InChIKeyPCIAFONPAVAMMI-UHFFFAOYSA-N
MW453.63 g/mol
LogP7.22
Rot. Bonds9

About N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene

N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene (PubChem CID 70442931) has the molecular formula C31H35NO2 and a molecular weight of 453.63 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
PubChem CID70442931
Molecular FormulaC31H35NO2
Molecular Weight453.63 g/mol
Exact Mass453.27
IUPAC NameN-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
SMILESCCC(c1ccccc1OC)c1ccccc1OC.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C17H20O2.C14H15N/c1-4-13(14-9-5-7-11-16(14)18-2)15-10-6-8-12-17(15)19-3;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-13H,4H2,1-3H3;1-10,15H,11-12H2
InChIKeyPCIAFONPAVAMMI-UHFFFAOYSA-N
XLogP7.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
CID 22555819
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N-[(3-methoxy-2-pentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804200
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene?
The IUPAC name of N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene (CID 70442931) is N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene?
The canonical SMILES for N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene is CCC(c1ccccc1OC)c1ccccc1OC.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene?
The InChIKey is PCIAFONPAVAMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C14H15N/c1-4-13(14-9-5-7-11-16(14)18-2)15-10-6-8-12-17(15)19-3;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-13H,4H2,1-3H3;1-10,15H,11-12H2.
What are the key properties of N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene?
N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene has a molecular weight of 453.63 g/mol, XLogP of 7.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 70442931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).