N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine

C16H25ClN2 — CID 114853511

IUPACN-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCCC1CCN(c2ccc(Cl)cc2CNCC)C1
InChIInChI=1S/C16H25ClN2/c1-3-5-13-8-9-19(12-13)16-7-6-15(17)10-14(16)11-18-4-2/h6-7,10,13,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyJFRKVEISQMCXKC-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.08
Rot. Bonds6

About N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine

N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114853511) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114853511
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
SMILESCCCC1CCN(c2ccc(Cl)cc2CNCC)C1
InChIInChI=1S/C16H25ClN2/c1-3-5-13-8-9-19(12-13)16-7-6-15(17)10-14(16)11-18-4-2/h6-7,10,13,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyJFRKVEISQMCXKC-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 114851804
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851025
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848529
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine (CID 114853511) is N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine is CCCC1CCN(c2ccc(Cl)cc2CNCC)C1.
What is the InChIKey of N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is JFRKVEISQMCXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-5-13-8-9-19(12-13)16-7-6-15(17)10-14(16)11-18-4-2/h6-7,10,13,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 280.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114853511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).