N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine

C15H23FN2 — CID 115210410

IUPACN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
SMILESCc1cc(CCNCCC2CCCN2)ccc1F
InChIInChI=1S/C15H23FN2/c1-12-11-13(4-5-15(12)16)6-9-17-10-7-14-3-2-8-18-14/h4-5,11,14,17-18H,2-3,6-10H2,1H3
InChIKeyKYEDQGKFYYDDNV-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine (PubChem CID 115210410) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
PubChem CID115210410
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
SMILESCc1cc(CCNCCC2CCCN2)ccc1F
InChIInChI=1S/C15H23FN2/c1-12-11-13(4-5-15(12)16)6-9-17-10-7-14-3-2-8-18-14/h4-5,11,14,17-18H,2-3,6-10H2,1H3
InChIKeyKYEDQGKFYYDDNV-UHFFFAOYSA-N
XLogP2.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine (CID 115210410) is N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine is Cc1cc(CCNCCC2CCCN2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
The InChIKey is KYEDQGKFYYDDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-11-13(4-5-15(12)16)6-9-17-10-7-14-3-2-8-18-14/h4-5,11,14,17-18H,2-3,6-10H2,1H3.
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine?
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 115210410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).