3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride

C14H18ClNO2 — CID 6603530

IUPAC3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(C(N)CCc2ccco2)cc1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13;/h2-7,10,14H,8-9,15H2,1H3;1H
InChIKeyBTHRUVDLTANLQR-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.34
Rot. Bonds5

About 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride

3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 6603530) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID6603530
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(C(N)CCc2ccco2)cc1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13;/h2-7,10,14H,8-9,15H2,1H3;1H
InChIKeyBTHRUVDLTANLQR-UHFFFAOYSA-N
XLogP3.34
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-2-furanmethanamine
CID 11993871
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
5-(2-Aminopropyl)benzofuran
CID 9837232
7-(2-Aminopropyl)benzofuran
CID 10130548
1-(1-benzofuran-5-yl)-N-methylpropan-2-amine;hydrochloride
CID 127263322
3-(Furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2771861
N-[1-(4-Methoxyphenyl)-3-methyl-3-buten-1-yl]-2-furanmethanamine
CID 2772050
3-(furan-2-yl)-4-phenyl-N-(1-phenylethyl)butan-1-amine
CID 2954718
1-(Benzofuran-5-YL)-N-methylbutan-2-amine
CID 139033209
Furfurylamine, alpha-benzyl-N-methyl-
CID 18548
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
1-(1-Benzofuran-5-yl)propan-2-amine hydrochloride
CID 9837231

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride (CID 6603530) is 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride is COc1ccc(C(N)CCc2ccco2)cc1.Cl.
What is the InChIKey of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is BTHRUVDLTANLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13;/h2-7,10,14H,8-9,15H2,1H3;1H.
What are the key properties of 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride?
3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 6603530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).