1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H26ClN3 — CID 81469659

IUPAC1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)Cc1ccc(N2CC(C)C(N(C)C)C2)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-11-9-20(10-16(11)19(3)4)15-6-5-13(7-12(2)18)8-14(15)17/h5-6,8,11-12,16H,7,9-10,18H2,1-4H3
InChIKeyPEFHLOSPUJLEGO-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81469659) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81469659
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)Cc1ccc(N2CC(C)C(N(C)C)C2)c(Cl)c1
InChIInChI=1S/C16H26ClN3/c1-11-9-20(10-16(11)19(3)4)15-6-5-13(7-12(2)18)8-14(15)17/h5-6,8,11-12,16H,7,9-10,18H2,1-4H3
InChIKeyPEFHLOSPUJLEGO-UHFFFAOYSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 23324799
Phenethylamine, 3-chloro-4-piperidino-, hydrochloride
CID 3054966
Phenethylamine, 3-chloro-beta-methyl-4-piperidino-, dihydrochloride
CID 217332
2-(3-Chloro-4-piperidin-1-ylphenyl)propan-1-amine;hydrochloride
CID 69594914
2-Pyrrolidinemethanamine, 1-(4-methylphenyl)-, monohydrochloride, (+-)-
CID 3072379
[1-(2-Chlorophenyl)pyrrolidin-3-yl]methanamine
CID 17389982
7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 475622
N2-(3-Chloro-4-methylphenyl)-N1,N1-diethyl-1,2-ethanediamine
CID 75648
2-chloro-4-[3-methylbutyl-[(3S)-pyrrolidin-3-yl]amino]benzonitrile
CID 70691353
N-(2-chloro-4-methylphenyl)-N,N-diethylamine
CID 291901
[1-(5-Chloro-2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 24275303
[3-Chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 63087843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81469659) is 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is CC(N)Cc1ccc(N2CC(C)C(N(C)C)C2)c(Cl)c1.
What is the InChIKey of 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is PEFHLOSPUJLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-11-9-20(10-16(11)19(3)4)15-6-5-13(7-12(2)18)8-14(15)17/h5-6,8,11-12,16H,7,9-10,18H2,1-4H3.
What are the key properties of 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 295.86 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81469659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).