4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine

C14H21FN2 — CID 115213417

IUPAC4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
SMILESNC1CCC(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-2,5-6,12,14,17H,3-4,7-10,16H2
InChIKeyTUUOADKEROLSKN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.43
Rot. Bonds4

About 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine

4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 115213417) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID115213417
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
SMILESNC1CCC(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-2,5-6,12,14,17H,3-4,7-10,16H2
InChIKeyTUUOADKEROLSKN-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5005578
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
(Z)-2-amino-2-[4-[[(4-aminocyclohexyl)methylamino]methyl]phenyl]ethenethiol
CID 89020362
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid;phenylmethanethiol
CID 143767157
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine (CID 115213417) is 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine is NC1CCC(CNCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is TUUOADKEROLSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-2,5-6,12,14,17H,3-4,7-10,16H2.
What are the key properties of 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine?
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).