N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine

C17H21NO — CID 43177527

IUPACN-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-9-10-17(19-3)16(11-13)14(2)18-12-15-7-5-4-6-8-15/h4-11,14,18H,12H2,1-3H3
InChIKeyPXBAZOAQXSGVEF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.85
Rot. Bonds5

About N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine

N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 43177527) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID43177527
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1ccccc1
InChIInChI=1S/C17H21NO/c1-13-9-10-17(19-3)16(11-13)14(2)18-12-15-7-5-4-6-8-15/h4-11,14,18H,12H2,1-3H3
InChIKeyPXBAZOAQXSGVEF-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-[(1-ethylpyrrol-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 66400523
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
(1R)-1-(2-methoxy-5-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 97256225
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397936
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine (CID 43177527) is N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is PXBAZOAQXSGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-9-10-17(19-3)16(11-13)14(2)18-12-15-7-5-4-6-8-15/h4-11,14,18H,12H2,1-3H3.
What are the key properties of N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine?
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43177527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).