N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C16H25FN2 — CID 55097606

IUPACN-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-12(2)19(3)9-8-18-16-10-14(11-16)13-4-6-15(17)7-5-13/h4-7,12,14,16,18H,8-11H2,1-3H3
InChIKeyXHGVRCDBMQPDMR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.00
Rot. Bonds6

About N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 55097606) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID55097606
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-12(2)19(3)9-8-18-16-10-14(11-16)13-4-6-15(17)7-5-13/h4-7,12,14,16,18H,8-11H2,1-3H3
InChIKeyXHGVRCDBMQPDMR-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 55097606) is N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XHGVRCDBMQPDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)19(3)9-8-18-16-10-14(11-16)13-4-6-15(17)7-5-13/h4-7,12,14,16,18H,8-11H2,1-3H3.
What are the key properties of N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55097606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).