(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride

C15H26ClN — CID 171231590

IUPAC(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1cccc(C(C)C)c1.Cl
InChIInChI=1S/C15H25N.ClH/c1-4-5-6-10-15(16)14-9-7-8-13(11-14)12(2)3;/h7-9,11-12,15H,4-6,10,16H2,1-3H3;1H/t15-;/m0./s1
InChIKeyQIYSSQAIDQQQJL-RSAXXLAASA-N
MW255.83 g/mol
LogP4.81
Rot. Bonds6

About (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride

(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride (PubChem CID 171231590) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
PubChem CID171231590
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC Name(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1cccc(C(C)C)c1.Cl
InChIInChI=1S/C15H25N.ClH/c1-4-5-6-10-15(16)14-9-7-8-13(11-14)12(2)3;/h7-9,11-12,15H,4-6,10,16H2,1-3H3;1H/t15-;/m0./s1
InChIKeyQIYSSQAIDQQQJL-RSAXXLAASA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
1-(3-bromophenyl)hexan-1-amine
CID 62602572
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-phenyldecan-1-amine
CID 43175860
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-chlorophenyl)undecan-1-amine
CID 63411961

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride (CID 171231590) is (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride is CCCCC[C@H](N)c1cccc(C(C)C)c1.Cl.
What is the InChIKey of (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride?
The InChIKey is QIYSSQAIDQQQJL-RSAXXLAASA-N. The full InChI is InChI=1S/C15H25N.ClH/c1-4-5-6-10-15(16)14-9-7-8-13(11-14)12(2)3;/h7-9,11-12,15H,4-6,10,16H2,1-3H3;1H/t15-;/m0./s1.
What are the key properties of (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride?
(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride has a molecular weight of 255.83 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171231590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).