N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

C15H23FN2 — CID 113478717

IUPACN-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCCC1CCC1
InChIInChI=1S/C15H23FN2/c1-11-9-13(16)5-6-14(11)15(10-17)18-8-7-12-3-2-4-12/h5-6,9,12,15,18H,2-4,7-8,10,17H2,1H3
InChIKeyCLNOIVKRHAPASZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds6

About N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 113478717) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID113478717
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCCC1CCC1
InChIInChI=1S/C15H23FN2/c1-11-9-13(16)5-6-14(11)15(10-17)18-8-7-12-3-2-4-12/h5-6,9,12,15,18H,2-4,7-8,10,17H2,1H3
InChIKeyCLNOIVKRHAPASZ-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-N-(2-cyclobutylethyl)ethane-1,2-diamine
CID 114075596
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113478720
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 115406339
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 107397769
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (CID 113478717) is N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is CLNOIVKRHAPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-13(16)5-6-14(11)15(10-17)18-8-7-12-3-2-4-12/h5-6,9,12,15,18H,2-4,7-8,10,17H2,1H3.
What are the key properties of N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 113478717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).