1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

C15H25FN2 — CID 62136494

IUPAC1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C15H25FN2/c1-5-8-18(11(2)3)15(10-17)14-7-6-13(16)9-12(14)4/h6-7,9,11,15H,5,8,10,17H2,1-4H3
InChIKeyCIHJLGXDUUOTLJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 62136494) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID62136494
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1ccc(F)cc1C
InChIInChI=1S/C15H25FN2/c1-5-8-18(11(2)3)15(10-17)14-7-6-13(16)9-12(14)4/h6-7,9,11,15H,5,8,10,17H2,1-4H3
InChIKeyCIHJLGXDUUOTLJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269458
N-ethyl-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134123
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62134640
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
1-(3-chloro-5-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 114453248
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-(3-bromo-4-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269361
N-(cyclobutylmethyl)-N-ethyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 107397769
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (CID 62136494) is 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is CCCN(C(C)C)C(CN)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is CIHJLGXDUUOTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-8-18(11(2)3)15(10-17)14-7-6-13(16)9-12(14)4/h6-7,9,11,15H,5,8,10,17H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62136494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).