(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride

C12H18ClN — CID 171209890

IUPAC(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(C)c1.Cl
InChIInChI=1S/C12H17N.ClH/c1-3-4-8-12(13)11-7-5-6-10(2)9-11;/h3,5-7,9,12H,1,4,8,13H2,2H3;1H/t12-;/m1./s1
InChIKeyQCKRGWVMWRCRQR-UTONKHPSSA-N
MW211.74 g/mol
LogP3.38
Rot. Bonds4

About (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171209890) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171209890
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cccc(C)c1.Cl
InChIInChI=1S/C12H17N.ClH/c1-3-4-8-12(13)11-7-5-6-10(2)9-11;/h3,5-7,9,12H,1,4,8,13H2,2H3;1H/t12-;/m1./s1
InChIKeyQCKRGWVMWRCRQR-UTONKHPSSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
(1S)-1-[3-(difluoromethoxy)phenyl]pent-4-en-1-amine
CID 171225720
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
(3S)-3-amino-3-(3-methylphenyl)propanenitrile;hydrochloride
CID 171260081

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride (CID 171209890) is (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cccc(C)c1.Cl.
What is the InChIKey of (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is QCKRGWVMWRCRQR-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-3-4-8-12(13)11-7-5-6-10(2)9-11;/h3,5-7,9,12H,1,4,8,13H2,2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171209890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).