N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine

C14H18BrClN2 — CID 120842429

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
SMILESClc1cc(CN(C2CC2)C2CCNC2)ccc1Br
InChIInChI=1S/C14H18BrClN2/c15-13-4-1-10(7-14(13)16)9-18(11-2-3-11)12-5-6-17-8-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2
InChIKeySQSXKXKXNVNJBP-UHFFFAOYSA-N
MW329.67 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine

N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine (PubChem CID 120842429) has the molecular formula C14H18BrClN2 and a molecular weight of 329.67 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
PubChem CID120842429
Molecular FormulaC14H18BrClN2
Molecular Weight329.67 g/mol
Exact Mass328.03
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
SMILESClc1cc(CN(C2CC2)C2CCNC2)ccc1Br
InChIInChI=1S/C14H18BrClN2/c15-13-4-1-10(7-14(13)16)9-18(11-2-3-11)12-5-6-17-8-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2
InChIKeySQSXKXKXNVNJBP-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]pyrrolidin-3-amine
CID 166632976
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine
CID 166627320
3-[(4-bromo-3-chlorophenyl)methyl]pyrrolidine
CID 84713943
N-[(2-chloro-5-methoxyphenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120966581
N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine
CID 120842423
N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842332
N-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 69171921
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
CID 11380271
6-[[cyclopropyl(pyrrolidin-3-yl)amino]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 120842413
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine (CID 120842429) is N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine is Clc1cc(CN(C2CC2)C2CCNC2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is SQSXKXKXNVNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2/c15-13-4-1-10(7-14(13)16)9-18(11-2-3-11)12-5-6-17-8-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 329.67 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 120842429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).