N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine

C15H22FNO — CID 134343357

IUPACN-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine
SMILESCc1ccc(COCNC2CCCCC2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-12-7-8-13(15(16)9-12)10-18-11-17-14-5-3-2-4-6-14/h7-9,14,17H,2-6,10-11H2,1H3
InChIKeyDMTWFPMJNZXBLA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.53
Rot. Bonds5

About N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine

N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine (PubChem CID 134343357) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine
PubChem CID134343357
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine
SMILESCc1ccc(COCNC2CCCCC2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-12-7-8-13(15(16)9-12)10-18-11-17-14-5-3-2-4-6-14/h7-9,14,17H,2-6,10-11H2,1H3
InChIKeyDMTWFPMJNZXBLA-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
2-[(cyclobutylamino)methyl]-5-methylbenzoic acid
CID 117220813
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine (CID 134343357) is N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine is Cc1ccc(COCNC2CCCCC2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine?
The InChIKey is DMTWFPMJNZXBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-7-8-13(15(16)9-12)10-18-11-17-14-5-3-2-4-6-14/h7-9,14,17H,2-6,10-11H2,1H3.
What are the key properties of N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine?
N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine has a molecular weight of 251.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methylphenyl)methoxymethyl]cyclohexanamine is sourced from PubChem (CID 134343357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).