2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine

C18H23N — CID 62388506

IUPAC2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23N/c1-12-6-5-7-16(10-12)11-17(19)18-14(3)8-13(2)9-15(18)4/h5-10,17H,11,19H2,1-4H3
InChIKeyLRDSZDTXDPVUIB-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds3

About 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine

2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62388506) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62388506
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23N/c1-12-6-5-7-16(10-12)11-17(19)18-14(3)8-13(2)9-15(18)4/h5-10,17H,11,19H2,1-4H3
InChIKeyLRDSZDTXDPVUIB-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
2-[(3-methylphenyl)methylsulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 64633986
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 103402392
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 62388506) is 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cccc(CC(N)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is LRDSZDTXDPVUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-6-5-7-16(10-12)11-17(19)18-14(3)8-13(2)9-15(18)4/h5-10,17H,11,19H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62388506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).