3-(4-methoxyphenyl)propan-1-amine;hydrochloride

C10H16ClNO — CID 3029814

IUPAC3-(4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(CCCN)cc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-12-10-6-4-9(5-7-10)3-2-8-11;/h4-7H,2-3,8,11H2,1H3;1H
InChIKeyCSGONQJCJBQOLK-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.01
Rot. Bonds4

About 3-(4-methoxyphenyl)propan-1-amine;hydrochloride

3-(4-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 3029814) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID3029814
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-(4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(CCCN)cc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-12-10-6-4-9(5-7-10)3-2-8-11;/h4-7H,2-3,8,11H2,1H3;1H
InChIKeyCSGONQJCJBQOLK-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
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1-(3-fluoropropyl)-4-(4-methoxyphenyl)benzene
CID 139457109
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CID 119406247
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CID 18345059
1-methoxy-4-(6-phenylhexyl)benzene
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N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 65430284

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)propan-1-amine;hydrochloride (CID 3029814) is 3-(4-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)propan-1-amine;hydrochloride is COc1ccc(CCCN)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is CSGONQJCJBQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-12-10-6-4-9(5-7-10)3-2-8-11;/h4-7H,2-3,8,11H2,1H3;1H.
What are the key properties of 3-(4-methoxyphenyl)propan-1-amine;hydrochloride?
3-(4-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 3029814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).