1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine

C14H20ClFN2 — CID 63955133

IUPAC1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2/c1-2-18(9-10-3-4-10)14(8-17)11-5-6-12(15)13(16)7-11/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeySTTWVCNAISCOIU-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine

1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine (PubChem CID 63955133) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
PubChem CID63955133
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2/c1-2-18(9-10-3-4-10)14(8-17)11-5-6-12(15)13(16)7-11/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeySTTWVCNAISCOIU-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-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

1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 83230033
1-(3-chloro-4-methoxyphenyl)-N-(cyclobutylmethyl)-N-ethylethane-1,2-diamine
CID 107397774
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 79984493
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433575
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658587
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
1-(4-chloro-3-fluorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465054

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine (CID 63955133) is 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine is CCN(CC1CC1)C(CN)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
The InChIKey is STTWVCNAISCOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-18(9-10-3-4-10)14(8-17)11-5-6-12(15)13(16)7-11/h5-7,10,14H,2-4,8-9,17H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine has a molecular weight of 270.78 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 63955133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).