2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine

C15H25N — CID 81014991

IUPAC2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1ccc(CC(C)C(C)CN)cc1
InChIInChI=1S/C15H25N/c1-11(2)15-7-5-14(6-8-15)9-12(3)13(4)10-16/h5-8,11-13H,9-10,16H2,1-4H3
InChIKeyOWENRUXGTIKYCA-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.58
Rot. Bonds5

About 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine

2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 81014991) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID81014991
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1ccc(CC(C)C(C)CN)cc1
InChIInChI=1S/C15H25N/c1-11(2)15-7-5-14(6-8-15)9-12(3)13(4)10-16/h5-8,11-13H,9-10,16H2,1-4H3
InChIKeyOWENRUXGTIKYCA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 83139380
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
CID 53417419
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine (CID 81014991) is 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine is CC(C)c1ccc(CC(C)C(C)CN)cc1.
What is the InChIKey of 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is OWENRUXGTIKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)15-7-5-14(6-8-15)9-12(3)13(4)10-16/h5-8,11-13H,9-10,16H2,1-4H3.
What are the key properties of 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine?
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 81014991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).