5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride

C18H17Cl2NO2 — CID 174664684

IUPAC5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
SMILESCOc1cccc(CNc2ccc(-c3ccc(Cl)cc3)o2)c1.Cl
InChIInChI=1S/C18H16ClNO2.ClH/c1-21-16-4-2-3-13(11-16)12-20-18-10-9-17(22-18)14-5-7-15(19)8-6-14;/h2-11,20H,12H2,1H3;1H
InChIKeyITXOKJBBIOFQRN-UHFFFAOYSA-N
MW350.25 g/mol
LogP5.64
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride

5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride (PubChem CID 174664684) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
PubChem CID174664684
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
SMILESCOc1cccc(CNc2ccc(-c3ccc(Cl)cc3)o2)c1.Cl
InChIInChI=1S/C18H16ClNO2.ClH/c1-21-16-4-2-3-13(11-16)12-20-18-10-9-17(22-18)14-5-7-15(19)8-6-14;/h2-11,20H,12H2,1H3;1H
InChIKeyITXOKJBBIOFQRN-UHFFFAOYSA-N
XLogP5.64
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 71611175
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
N-benzyl-5-(4-bromophenyl)furan-2-amine
CID 161416946
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727719
4-chloro-N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]aniline
CID 156894830
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine
CID 57196897
4-chloro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 9111194

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride (CID 174664684) is 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride is COc1cccc(CNc2ccc(-c3ccc(Cl)cc3)o2)c1.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride?
The InChIKey is ITXOKJBBIOFQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2.ClH/c1-21-16-4-2-3-13(11-16)12-20-18-10-9-17(22-18)14-5-7-15(19)8-6-14;/h2-11,20H,12H2,1H3;1H.
What are the key properties of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride?
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride is sourced from PubChem (CID 174664684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).