N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C15H25FN2O — CID 115252560

IUPACN'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(CCNCC(CN)C(C)C)cc1F
InChIInChI=1S/C15H25FN2O/c1-11(2)13(9-17)10-18-7-6-12-4-5-15(19-3)14(16)8-12/h4-5,8,11,13,18H,6-7,9-10,17H2,1-3H3
InChIKeyMMGPEJXXQXIXDI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.20
Rot. Bonds8

About N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252560) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252560
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(CCNCC(CN)C(C)C)cc1F
InChIInChI=1S/C15H25FN2O/c1-11(2)13(9-17)10-18-7-6-12-4-5-15(19-3)14(16)8-12/h4-5,8,11,13,18H,6-7,9-10,17H2,1-3H3
InChIKeyMMGPEJXXQXIXDI-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-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

N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
N'-[(3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441147
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303172
2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252188
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 62528167
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252560) is N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is COc1ccc(CCNCC(CN)C(C)C)cc1F.
What is the InChIKey of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is MMGPEJXXQXIXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(2)13(9-17)10-18-7-6-12-4-5-15(19-3)14(16)8-12/h4-5,8,11,13,18H,6-7,9-10,17H2,1-3H3.
What are the key properties of N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).