1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine

C16H22Cl2N2 — CID 106604413

IUPAC1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESClc1ccc(CN(CC2CC2)CC2CCCN2)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c17-15-6-5-13(8-16(15)18)10-20(9-12-3-4-12)11-14-2-1-7-19-14/h5-6,8,12,14,19H,1-4,7,9-11H2
InChIKeyJXHJYQAJUIHZBF-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds6

About 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine

1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106604413) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106604413
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESClc1ccc(CN(CC2CC2)CC2CCCN2)cc1Cl
InChIInChI=1S/C16H22Cl2N2/c17-15-6-5-13(8-16(15)18)10-20(9-12-3-4-12)11-14-2-1-7-19-14/h5-6,8,12,14,19H,1-4,7,9-11H2
InChIKeyJXHJYQAJUIHZBF-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606072
1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588
1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604286
5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107883167
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616244
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606044
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106604413) is 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine is Clc1ccc(CN(CC2CC2)CC2CCCN2)cc1Cl.
What is the InChIKey of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is JXHJYQAJUIHZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-15-6-5-13(8-16(15)18)10-20(9-12-3-4-12)11-14-2-1-7-19-14/h5-6,8,12,14,19H,1-4,7,9-11H2.
What are the key properties of 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 313.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106604413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).