N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine

C17H21NO — CID 54940038

IUPACN-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-13-7-14(2)9-16(8-13)12-18-11-15-5-4-6-17(10-15)19-3/h4-10,18H,11-12H2,1-3H3
InChIKeyUJNNXGOEOVETBG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.60
Rot. Bonds5

About N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine

N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine (PubChem CID 54940038) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
PubChem CID54940038
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CNCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-13-7-14(2)9-16(8-13)12-18-11-15-5-4-6-17(10-15)19-3/h4-10,18H,11-12H2,1-3H3
InChIKeyUJNNXGOEOVETBG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
1-(3-methoxyphenyl)-N-[(2,3,4,5,6-pentadeuteriophenyl)methyl]methanamine
CID 165111805
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54882211
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine (CID 54940038) is N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine is COc1cccc(CNCc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
The InChIKey is UJNNXGOEOVETBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-14(2)9-16(8-13)12-18-11-15-5-4-6-17(10-15)19-3/h4-10,18H,11-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine?
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 54940038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).