(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride

C14H24ClN — CID 50999225

IUPAC(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23N.ClH/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4;/h7-10,13H,5-6,15H2,1-4H3;1H/t13-;/m0./s1
InChIKeyPWKOIXVHNAWFGY-ZOWNYOTGSA-N
MW241.81 g/mol
LogP4.21
Rot. Bonds3

About (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride

(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride (PubChem CID 50999225) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
PubChem CID50999225
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Name(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C14H23N.ClH/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4;/h7-10,13H,5-6,15H2,1-4H3;1H/t13-;/m0./s1
InChIKeyPWKOIXVHNAWFGY-ZOWNYOTGSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
1-(4-tert-butylphenyl)-3-chloropropan-1-amine
CID 116937656
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride (CID 50999225) is (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride is CCC[C@H](N)c1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride?
The InChIKey is PWKOIXVHNAWFGY-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23N.ClH/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4;/h7-10,13H,5-6,15H2,1-4H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride?
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride has a molecular weight of 241.81 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 50999225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).