1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine

C17H26FN — CID 146000033

IUPAC1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
SMILESCCC(CC1CCCCC1)NCc1ccccc1F
InChIInChI=1S/C17H26FN/c1-2-16(12-14-8-4-3-5-9-14)19-13-15-10-6-7-11-17(15)18/h6-7,10-11,14,16,19H,2-5,8-9,12-13H2,1H3
InChIKeyVFFAPBIAZZIWMF-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.66
Rot. Bonds6

About 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine

1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine (PubChem CID 146000033) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
PubChem CID146000033
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine
SMILESCCC(CC1CCCCC1)NCc1ccccc1F
InChIInChI=1S/C17H26FN/c1-2-16(12-14-8-4-3-5-9-14)19-13-15-10-6-7-11-17(15)18/h6-7,10-11,14,16,19H,2-5,8-9,12-13H2,1H3
InChIKeyVFFAPBIAZZIWMF-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 78924574
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
1-cycloheptyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114458172
N-[(2-fluorophenyl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113243463
N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
[1-cyclohexyl-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105296152
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine (CID 146000033) is 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine is CCC(CC1CCCCC1)NCc1ccccc1F.
What is the InChIKey of 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine?
The InChIKey is VFFAPBIAZZIWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-16(12-14-8-4-3-5-9-14)19-13-15-10-6-7-11-17(15)18/h6-7,10-11,14,16,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine?
1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-fluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 146000033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).