3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine

C14H23N — CID 82492113

IUPAC3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCc1ccc(C(C)C)cc1C(C)CCN
InChIInChI=1S/C14H23N/c1-10(2)13-6-5-11(3)14(9-13)12(4)7-8-15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyQLNLRGYDAIKKKG-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.57
Rot. Bonds4

About 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine

3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 82492113) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
PubChem CID82492113
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
SMILESCc1ccc(C(C)C)cc1C(C)CCN
InChIInChI=1S/C14H23N/c1-10(2)13-6-5-11(3)14(9-13)12(4)7-8-15/h5-6,9-10,12H,7-8,15H2,1-4H3
InChIKeyQLNLRGYDAIKKKG-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
3-(3-ethyl-4-methylphenyl)butan-1-amine
CID 117282743
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine (CID 82492113) is 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine is Cc1ccc(C(C)C)cc1C(C)CCN.
What is the InChIKey of 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is QLNLRGYDAIKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)13-6-5-11(3)14(9-13)12(4)7-8-15/h5-6,9-10,12H,7-8,15H2,1-4H3.
What are the key properties of 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine?
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 82492113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).