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

C14H23N — CID 71074498

IUPAC(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)C[C@H](N)c1cccc(C(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)8-14(15)13-7-5-6-12(9-13)11(3)4/h5-7,9-11,14H,8,15H2,1-4H3/t14-/m0/s1
InChIKeyRWYOYHXWFBRYST-AWEZNQCLSA-N
MW205.34 g/mol
LogP3.86
Rot. Bonds4

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

(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine (PubChem CID 71074498) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
PubChem CID71074498
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)C[C@H](N)c1cccc(C(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)8-14(15)13-7-5-6-12(9-13)11(3)4/h5-7,9-11,14H,8,15H2,1-4H3/t14-/m0/s1
InChIKeyRWYOYHXWFBRYST-AWEZNQCLSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
(2R)-4-methyl-2-(3-propan-2-ylphenyl)pentan-1-amine
CID 146290078
3-[(1S)-1-amino-3-methylbutyl]benzonitrile
CID 130884549
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine (CID 71074498) is (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine is CC(C)C[C@H](N)c1cccc(C(C)C)c1.
What is the InChIKey of (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine?
The InChIKey is RWYOYHXWFBRYST-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)8-14(15)13-7-5-6-12(9-13)11(3)4/h5-7,9-11,14H,8,15H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine?
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 71074498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).