N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline

C16H25FN2 — CID 43281747

IUPACN-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccc(N(C)C2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2/c1-12(2)18-11-13-8-9-16(15(17)10-13)19(3)14-6-4-5-7-14/h8-10,12,14,18H,4-7,11H2,1-3H3
InChIKeyGQBYSSCFDTZHOD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.70
Rot. Bonds5

About N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline

N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 43281747) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID43281747
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1ccc(N(C)C2CCCC2)c(F)c1
InChIInChI=1S/C16H25FN2/c1-12(2)18-11-13-8-9-16(15(17)10-13)19(3)14-6-4-5-7-14/h8-10,12,14,18H,4-7,11H2,1-3H3
InChIKeyGQBYSSCFDTZHOD-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline 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-fluoro-4-[(propan-2-ylamino)methyl]phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648979
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 64520411
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
N-methyl-N-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]oxan-4-amine
CID 62121051
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline (CID 43281747) is N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1ccc(N(C)C2CCCC2)c(F)c1.
What is the InChIKey of N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is GQBYSSCFDTZHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)18-11-13-8-9-16(15(17)10-13)19(3)14-6-4-5-7-14/h8-10,12,14,18H,4-7,11H2,1-3H3.
What are the key properties of N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 264.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 43281747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).