N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

C15H23ClN2 — CID 28657896

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESC[C@H](NCCCN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-13(14-7-2-3-8-15(14)16)17-9-6-12-18-10-4-5-11-18/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyFSEDNTJSGONIPU-ZDUSSCGKSA-N
MW266.82 g/mol
LogP3.48
Rot. Bonds6

About N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 28657896) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID28657896
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESC[C@H](NCCCN1CCCC1)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-13(14-7-2-3-8-15(14)16)17-9-6-12-18-10-4-5-11-18/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyFSEDNTJSGONIPU-ZDUSSCGKSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[1-(2,3-dichlorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 103776344
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43080661
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43768220
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
CID 56819750
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 28657896) is N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is C[C@H](NCCCN1CCCC1)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is FSEDNTJSGONIPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13(14-7-2-3-8-15(14)16)17-9-6-12-18-10-4-5-11-18/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 28657896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).