2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline

C17H21ClN2O — CID 81143889

IUPAC2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
SMILESCCNCc1ccc(N(Cc2ccco2)C2CC2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-2-19-11-13-5-8-17(16(18)10-13)20(14-6-7-14)12-15-4-3-9-21-15/h3-5,8-10,14,19H,2,6-7,11-12H2,1H3
InChIKeyKDMCHAPEEJIBHM-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.21
Rot. Bonds7

About 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline

2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline (PubChem CID 81143889) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
PubChem CID81143889
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
SMILESCCNCc1ccc(N(Cc2ccco2)C2CC2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-2-19-11-13-5-8-17(16(18)10-13)20(14-6-7-14)12-15-4-3-9-21-15/h3-5,8-10,14,19H,2,6-7,11-12H2,1H3
InChIKeyKDMCHAPEEJIBHM-UHFFFAOYSA-N
XLogP4.21
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)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

2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81147081
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
CID 81144136
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbenzoic acid
CID 62120263
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 62413633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline (CID 81143889) is 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline is CCNCc1ccc(N(Cc2ccco2)C2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
The InChIKey is KDMCHAPEEJIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-2-19-11-13-5-8-17(16(18)10-13)20(14-6-7-14)12-15-4-3-9-21-15/h3-5,8-10,14,19H,2,6-7,11-12H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline has a molecular weight of 304.82 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 81143889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).