N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine

C16H22Cl2N2 — CID 103777374

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
SMILESCC(NCC1CCN(C2CC2)C1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2/c1-11(14-3-2-4-15(17)16(14)18)19-9-12-7-8-20(10-12)13-5-6-13/h2-4,11-13,19H,5-10H2,1H3
InChIKeyKCVKZCFITQNEDK-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.13
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine (PubChem CID 103777374) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
PubChem CID103777374
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine
SMILESCC(NCC1CCN(C2CC2)C1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H22Cl2N2/c1-11(14-3-2-4-15(17)16(14)18)19-9-12-7-8-20(10-12)13-5-6-13/h2-4,11-13,19H,5-10H2,1H3
InChIKeyKCVKZCFITQNEDK-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine 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

1-cyclopropyl-N-[1-(2,3-dichlorophenyl)ethyl]piperidin-4-amine
CID 103776460
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 103782974
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
1-(5-chlorothiophen-3-yl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 102976400
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
2-[1-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 60856155
1-(3-chlorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]propan-1-amine
CID 60857454
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine (CID 103777374) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine is CC(NCC1CCN(C2CC2)C1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine?
The InChIKey is KCVKZCFITQNEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c1-11(14-3-2-4-15(17)16(14)18)19-9-12-7-8-20(10-12)13-5-6-13/h2-4,11-13,19H,5-10H2,1H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine has a molecular weight of 313.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 103777374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).