2,3-bis(2,4,6-trimethylphenyl)propan-1-amine

C21H29N — CID 82141452

IUPAC2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(CC(CN)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H29N/c1-13-7-15(3)20(16(4)8-13)11-19(12-22)21-17(5)9-14(2)10-18(21)6/h7-10,19H,11-12,22H2,1-6H3
InChIKeyNMJZUYRYWRPRIO-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.82
Rot. Bonds4

About 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine

2,3-bis(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 82141452) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID82141452
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(CC(CN)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H29N/c1-13-7-15(3)20(16(4)8-13)11-19(12-22)21-17(5)9-14(2)10-18(21)6/h7-10,19H,11-12,22H2,1-6H3
InChIKeyNMJZUYRYWRPRIO-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141447
3-(3-fluorophenyl)-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82140480
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene
CID 145161714
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82090983
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121218
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
(2S)-2-amino-3-(2,4,6-trimethylphenyl)propanal
CID 54309982
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine (CID 82141452) is 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine is Cc1cc(C)c(CC(CN)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is NMJZUYRYWRPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-13-7-15(3)20(16(4)8-13)11-19(12-22)21-17(5)9-14(2)10-18(21)6/h7-10,19H,11-12,22H2,1-6H3.
What are the key properties of 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine?
2,3-bis(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 82141452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).