[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine

C19H26N2 — CID 114478620

IUPAC[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
SMILESCCc1ccc(CN(C)Cc2ccc(CN)cc2C)cc1
InChIInChI=1S/C19H26N2/c1-4-16-5-7-17(8-6-16)13-21(3)14-19-10-9-18(12-20)11-15(19)2/h5-11H,4,12-14,20H2,1-3H3
InChIKeyAQEWVKBEQRRWDU-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.65
Rot. Bonds6

About [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine

[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine (PubChem CID 114478620) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
PubChem CID114478620
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
SMILESCCc1ccc(CN(C)Cc2ccc(CN)cc2C)cc1
InChIInChI=1S/C19H26N2/c1-4-16-5-7-17(8-6-16)13-21(3)14-19-10-9-18(12-20)11-15(19)2/h5-11H,4,12-14,20H2,1-3H3
InChIKeyAQEWVKBEQRRWDU-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213236
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948538
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 114478711
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
[4-methoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018364

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine (CID 114478620) is [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine is CCc1ccc(CN(C)Cc2ccc(CN)cc2C)cc1.
What is the InChIKey of [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
The InChIKey is AQEWVKBEQRRWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-16-5-7-17(8-6-16)13-21(3)14-19-10-9-18(12-20)11-15(19)2/h5-11H,4,12-14,20H2,1-3H3.
What are the key properties of [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine?
[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine has a molecular weight of 282.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114478620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).