N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine

C18H21F2N — CID 63793740

IUPACN-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
SMILESCCCCC(NCc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-3-9-18(14-7-5-4-6-8-14)21-13-15-12-16(19)10-11-17(15)20/h4-8,10-12,18,21H,2-3,9,13H2,1H3
InChIKeyWWXJSISUKQCTNH-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.99
Rot. Bonds7

About N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine

N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine (PubChem CID 63793740) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
PubChem CID63793740
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
SMILESCCCCC(NCc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C18H21F2N/c1-2-3-9-18(14-7-5-4-6-8-14)21-13-15-12-16(19)10-11-17(15)20/h4-8,10-12,18,21H,2-3,9,13H2,1H3
InChIKeyWWXJSISUKQCTNH-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
CID 65025752
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
(1S)-N-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265427
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine (CID 63793740) is N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine is CCCCC(NCc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine?
The InChIKey is WWXJSISUKQCTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-3-9-18(14-7-5-4-6-8-14)21-13-15-12-16(19)10-11-17(15)20/h4-8,10-12,18,21H,2-3,9,13H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine?
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine is sourced from PubChem (CID 63793740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).