1-(3-methoxyphenyl)ethanamine;hydrochloride

C9H14ClNO — CID 19864848

IUPAC1-(3-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(C(C)N)c1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)8-4-3-5-9(6-8)11-2;/h3-7H,10H2,1-2H3;1H
InChIKeyIPMGDPJDHDVXRQ-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.14
Rot. Bonds2

About 1-(3-methoxyphenyl)ethanamine;hydrochloride

1-(3-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 19864848) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethanamine;hydrochloride
PubChem CID19864848
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name1-(3-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1cccc(C(C)N)c1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)8-4-3-5-9(6-8)11-2;/h3-7H,10H2,1-2H3;1H
InChIKeyIPMGDPJDHDVXRQ-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
hydrazinyl-(3-methoxyphenyl)methanamine
CID 116947521

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)ethanamine;hydrochloride (CID 19864848) is 1-(3-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)ethanamine;hydrochloride is COc1cccc(C(C)N)c1.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is IPMGDPJDHDVXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7(10)8-4-3-5-9(6-8)11-2;/h3-7H,10H2,1-2H3;1H.
What are the key properties of 1-(3-methoxyphenyl)ethanamine;hydrochloride?
1-(3-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 19864848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).