N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

C14H20FN — CID 43178807

IUPACN-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2F)C1
InChIInChI=1S/C14H20FN/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h2-3,6,8,11,13,16H,4-5,7,9-10H2,1H3
InChIKeyDLWDGQGTTSLMBM-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.49
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 43178807) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID43178807
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ccccc2F)C1
InChIInChI=1S/C14H20FN/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h2-3,6,8,11,13,16H,4-5,7,9-10H2,1H3
InChIKeyDLWDGQGTTSLMBM-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674
methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 43178807) is N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is DLWDGQGTTSLMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-5-4-7-13(9-11)16-10-12-6-2-3-8-14(12)15/h2-3,6,8,11,13,16H,4-5,7,9-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43178807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).