3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride

C10H12ClNO — CID 75365696

IUPAC3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
SMILESCOc1cccc(C#CCN)c1.Cl
InChIInChI=1S/C10H11NO.ClH/c1-12-10-6-2-4-9(8-10)5-3-7-11;/h2,4,6,8H,7,11H2,1H3;1H
InChIKeyYJXJKOLQNNSFNH-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.43
Rot. Bonds1

About 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride

3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride (PubChem CID 75365696) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
PubChem CID75365696
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride
SMILESCOc1cccc(C#CCN)c1.Cl
InChIInChI=1S/C10H11NO.ClH/c1-12-10-6-2-4-9(8-10)5-3-7-11;/h2,4,6,8H,7,11H2,1H3;1H
InChIKeyYJXJKOLQNNSFNH-UHFFFAOYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.43
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

1-(4-bromobut-1-ynyl)-3-methoxybenzene
CID 170465696
3-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]prop-2-yn-1-amine
CID 104564421
3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
CID 60801175
N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
CID 11586570
5-(3-methoxyphenyl)pent-4-yn-1-ol
CID 112554273
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
3-[3-(4,4-dimethylpentoxy)phenyl]prop-2-yn-1-amine
CID 114210068
3-[3-fluoro-5-[(3-methoxyphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 79697880
3-[3-(3-methylsulfonylpropoxy)phenyl]prop-2-yn-1-amine
CID 63192000
3-[3-(phenoxymethyl)phenyl]prop-2-yn-1-amine
CID 54969909
3-[3-(3,3,3-trifluoropropoxy)phenyl]prop-2-yn-1-amine
CID 64566759
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60801178

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride (CID 75365696) is 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride is COc1cccc(C#CCN)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride?
The InChIKey is YJXJKOLQNNSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c1-12-10-6-2-4-9(8-10)5-3-7-11;/h2,4,6,8H,7,11H2,1H3;1H.
What are the key properties of 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride?
3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)prop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 75365696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).