2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine

C15H23FN2 — CID 62985957

IUPAC2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)CC(C)(N)C1CC1
InChIInChI=1S/C15H23FN2/c1-11(13-6-4-5-7-14(13)16)18(3)10-15(2,17)12-8-9-12/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyALZUGKJYHJAPJT-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds5

About 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine

2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine (PubChem CID 62985957) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
PubChem CID62985957
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)CC(C)(N)C1CC1
InChIInChI=1S/C15H23FN2/c1-11(13-6-4-5-7-14(13)16)18(3)10-15(2,17)12-8-9-12/h4-7,11-12H,8-10,17H2,1-3H3
InChIKeyALZUGKJYHJAPJT-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-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-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79843106
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N-[(4-tert-butylcyclohexyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104574961

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine (CID 62985957) is 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine is CC(c1ccccc1F)N(C)CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is ALZUGKJYHJAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(13-6-4-5-7-14(13)16)18(3)10-15(2,17)12-8-9-12/h4-7,11-12H,8-10,17H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine?
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62985957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).