4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine

C16H26FN3O — CID 103389279

IUPAC4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C16H26FN3O/c1-21-12-14(5-4-8-18)19-13-6-7-16(15(17)11-13)20-9-2-3-10-20/h6-7,11,14,19H,2-5,8-10,12,18H2,1H3
InChIKeyUKSINLAXEKADFV-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.59
Rot. Bonds8

About 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine

4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103389279) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
PubChem CID103389279
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C16H26FN3O/c1-21-12-14(5-4-8-18)19-13-6-7-16(15(17)11-13)20-9-2-3-10-20/h6-7,11,14,19H,2-5,8-10,12,18H2,1H3
InChIKeyUKSINLAXEKADFV-UHFFFAOYSA-N
XLogP2.59
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine 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

5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
CID 103388717
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
3-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63993464

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine (CID 103389279) is 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is UKSINLAXEKADFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-21-12-14(5-4-8-18)19-13-6-7-16(15(17)11-13)20-9-2-3-10-20/h6-7,11,14,19H,2-5,8-10,12,18H2,1H3.
What are the key properties of 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine?
4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine has a molecular weight of 295.40 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).