N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline

C18H21ClN2 — CID 43226933

IUPACN-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccc(N2CCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2/c1-14(17-6-2-3-7-18(17)19)20-15-8-10-16(11-9-15)21-12-4-5-13-21/h2-3,6-11,14,20H,4-5,12-13H2,1H3
InChIKeyHCQNRXKUINNUTL-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.11
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline

N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline (PubChem CID 43226933) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
PubChem CID43226933
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccc(N2CCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2/c1-14(17-6-2-3-7-18(17)19)20-15-8-10-16(11-9-15)21-12-4-5-13-21/h2-3,6-11,14,20H,4-5,12-13H2,1H3
InChIKeyHCQNRXKUINNUTL-UHFFFAOYSA-N
XLogP5.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43732210
N-[1-(2-chlorophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689544
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]azanium
CID 8593365
2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
CID 60943568
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63990671
2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline
CID 141364021
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline (CID 43226933) is N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline is CC(Nc1ccc(N2CCCC2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is HCQNRXKUINNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-14(17-6-2-3-7-18(17)19)20-15-8-10-16(11-9-15)21-12-4-5-13-21/h2-3,6-11,14,20H,4-5,12-13H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 300.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43226933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).