5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline

C16H21ClN2O — CID 114848202

IUPAC5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(C)Cc1ccco1
InChIInChI=1S/C16H21ClN2O/c1-3-8-18-11-13-6-7-14(17)10-16(13)19(2)12-15-5-4-9-20-15/h4-7,9-10,18H,3,8,11-12H2,1-2H3
InChIKeyIMMDLDZVNBXUAN-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.07
Rot. Bonds7

About 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline

5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 114848202) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
PubChem CID114848202
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(C)Cc1ccco1
InChIInChI=1S/C16H21ClN2O/c1-3-8-18-11-13-6-7-14(17)10-16(13)19(2)12-15-5-4-9-20-15/h4-7,9-10,18H,3,8,11-12H2,1-2H3
InChIKeyIMMDLDZVNBXUAN-UHFFFAOYSA-N
XLogP4.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline 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

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
CID 114848828
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850335
2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
CID 114860599
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848827
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline (CID 114848202) is 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccc(Cl)cc1N(C)Cc1ccco1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is IMMDLDZVNBXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-8-18-11-13-6-7-14(17)10-16(13)19(2)12-15-5-4-9-20-15/h4-7,9-10,18H,3,8,11-12H2,1-2H3.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline?
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 292.81 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114848202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).