N-benzyl-1-(2-methoxyphenyl)propan-1-amine

C17H21NO — CID 43435153

IUPACN-benzyl-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccccc1)c1ccccc1OC
InChIInChI=1S/C17H21NO/c1-3-16(15-11-7-8-12-17(15)19-2)18-13-14-9-5-4-6-10-14/h4-12,16,18H,3,13H2,1-2H3
InChIKeyFXQACKHXQIRDMQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.94
Rot. Bonds6

About N-benzyl-1-(2-methoxyphenyl)propan-1-amine

N-benzyl-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 43435153) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxyphenyl)propan-1-amine
PubChem CID43435153
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-benzyl-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccccc1)c1ccccc1OC
InChIInChI=1S/C17H21NO/c1-3-16(15-11-7-8-12-17(15)19-2)18-13-14-9-5-4-6-10-14/h4-12,16,18H,3,13H2,1-2H3
InChIKeyFXQACKHXQIRDMQ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
CID 70442931
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
2-[1-(benzylamino)propyl]aniline
CID 12628946
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103943680
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 62084477

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-benzyl-1-(2-methoxyphenyl)propan-1-amine (CID 43435153) is N-benzyl-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-benzyl-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-benzyl-1-(2-methoxyphenyl)propan-1-amine is CCC(NCc1ccccc1)c1ccccc1OC.
What is the InChIKey of N-benzyl-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is FXQACKHXQIRDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-16(15-11-7-8-12-17(15)19-2)18-13-14-9-5-4-6-10-14/h4-12,16,18H,3,13H2,1-2H3.
What are the key properties of N-benzyl-1-(2-methoxyphenyl)propan-1-amine?
N-benzyl-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43435153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).