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

C16H25FN2 — CID 107397769

IUPACN-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C16H25FN2/c1-3-19(11-13-5-4-6-13)16(10-18)15-8-7-14(17)9-12(15)2/h7-9,13,16H,3-6,10-11,18H2,1-2H3
InChIKeyGWCQUWVVIPSZOR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.26
Rot. Bonds6

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

N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 107397769) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID107397769
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C16H25FN2/c1-3-19(11-13-5-4-6-13)16(10-18)15-8-7-14(17)9-12(15)2/h7-9,13,16H,3-6,10-11,18H2,1-2H3
InChIKeyGWCQUWVVIPSZOR-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 107397656
N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62136494
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134640
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63955133
6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
CID 115852356

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (CID 107397769) is N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is CCN(CC1CCC1)C(CN)c1ccc(F)cc1C.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is GWCQUWVVIPSZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19(11-13-5-4-6-13)16(10-18)15-8-7-14(17)9-12(15)2/h7-9,13,16H,3-6,10-11,18H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107397769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).