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

C18H21FN2 — CID 43732210

IUPACN-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccc(N2CCCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H21FN2/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
InChIKeyYOPQKHARGGMDTC-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.60
Rot. Bonds4

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

N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline (PubChem CID 43732210) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
PubChem CID43732210
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccc(N2CCCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H21FN2/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
InChIKeyYOPQKHARGGMDTC-UHFFFAOYSA-N
XLogP4.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.60
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-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
methyl 2-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 122228439
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-fluorophenyl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43720526
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-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63990671

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline (CID 43732210) is N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline is CC(Nc1ccc(N2CCCC2)cc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is YOPQKHARGGMDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/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-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline?
N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 284.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43732210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).