6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride

C13H18ClNO — CID 86602816

IUPAC6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride
SMILESC#CC(N)CCCc1ccc(OC)cc1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-3-12(14)6-4-5-11-7-9-13(15-2)10-8-11;/h1,7-10,12H,4-6,14H2,2H3;1H
InChIKeySGBRMWABAVNJFL-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.40
Rot. Bonds5

About 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride

6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride (PubChem CID 86602816) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride.

Molecular Properties

Compound Name6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride
PubChem CID86602816
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride
SMILESC#CC(N)CCCc1ccc(OC)cc1.Cl
InChIInChI=1S/C13H17NO.ClH/c1-3-12(14)6-4-5-11-7-9-13(15-2)10-8-11;/h1,7-10,12H,4-6,14H2,2H3;1H
InChIKeySGBRMWABAVNJFL-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
(1R)-4-(4-methoxyphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride
CID 168920113
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
CID 167114293
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-(4-methoxyphenyl)oct-7-yn-3-ol
CID 115831828
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride?
The IUPAC name of 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride (CID 86602816) is 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride.
What is the SMILES notation for 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride?
The canonical SMILES for 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride is C#CC(N)CCCc1ccc(OC)cc1.Cl.
What is the InChIKey of 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride?
The InChIKey is SGBRMWABAVNJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c1-3-12(14)6-4-5-11-7-9-13(15-2)10-8-11;/h1,7-10,12H,4-6,14H2,2H3;1H.
What are the key properties of 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride?
6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride is sourced from PubChem (CID 86602816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).