(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride

C13H22ClN — CID 171200402

IUPAC(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C13H21N.ClH/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3;/h6-10,13H,4-5,14H2,1-3H3;1H/t13-;/m1./s1
InChIKeyDZKXXOFBELKEDA-BTQNPOSSSA-N
MW227.78 g/mol
LogP4.03
Rot. Bonds4

About (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride

(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride (PubChem CID 171200402) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
PubChem CID171200402
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C13H21N.ClH/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3;/h6-10,13H,4-5,14H2,1-3H3;1H/t13-;/m1./s1
InChIKeyDZKXXOFBELKEDA-BTQNPOSSSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
1-(4-phenylphenyl)butan-1-amine
CID 43197430
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
(1S)-1-(6-chloro-3-pyridinyl)butan-1-amine
CID 131097718

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride (CID 171200402) is (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride is CCC[C@@H](N)c1ccc(C(C)C)cc1.Cl.
What is the InChIKey of (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride?
The InChIKey is DZKXXOFBELKEDA-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H21N.ClH/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3;/h6-10,13H,4-5,14H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride?
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride has a molecular weight of 227.78 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171200402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).