N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine

C14H23FN2 — CID 115200147

IUPACN'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCc1cc(CCNCC(C)(C)CN)ccc1F
InChIInChI=1S/C14H23FN2/c1-11-8-12(4-5-13(11)15)6-7-17-10-14(2,3)9-16/h4-5,8,17H,6-7,9-10,16H2,1-3H3
InChIKeyNCSGQPADPVWPRO-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.25
Rot. Bonds6

About N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine

N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 115200147) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID115200147
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
SMILESCc1cc(CCNCC(C)(C)CN)ccc1F
InChIInChI=1S/C14H23FN2/c1-11-8-12(4-5-13(11)15)6-7-17-10-14(2,3)9-16/h4-5,8,17H,6-7,9-10,16H2,1-3H3
InChIKeyNCSGQPADPVWPRO-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.25
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]-2,2-dimethylpropane-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-(3,4-dimethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200140
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
N'-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204862
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200177
[2-(4-fluoro-3-methylphenyl)ethylamino]methanethiol
CID 115228200
N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200137
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine
CID 79735596
2-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250409
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine (CID 115200147) is N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine is Cc1cc(CCNCC(C)(C)CN)ccc1F.
What is the InChIKey of N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is NCSGQPADPVWPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11-8-12(4-5-13(11)15)6-7-17-10-14(2,3)9-16/h4-5,8,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine?
N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.25, 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]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115200147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).