N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine

C14H19F2N — CID 43425026

IUPACN-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2N/c1-10-5-7-12(8-6-10)17-9-11-3-2-4-13(15)14(11)16/h2-4,10,12,17H,5-9H2,1H3
InChIKeyTYEAJISGXCKEFB-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.63
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine

N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 43425026) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID43425026
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCc2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2N/c1-10-5-7-12(8-6-10)17-9-11-3-2-4-13(15)14(11)16/h2-4,10,12,17H,5-9H2,1H3
InChIKeyTYEAJISGXCKEFB-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
N-[(2,3-difluorophenyl)methyl]-1,1-dioxothietan-3-amine
CID 165451308
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 115757282
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 43425026) is N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(NCc2cccc(F)c2F)CC1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is TYEAJISGXCKEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-5-7-12(8-6-10)17-9-11-3-2-4-13(15)14(11)16/h2-4,10,12,17H,5-9H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine?
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43425026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).