(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone

C14H18FNO — CID 106829172

IUPAC(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccc(N)c(F)c2)CCCCC1
InChIInChI=1S/C14H18FNO/c1-14(7-3-2-4-8-14)13(17)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyZRMWJCXRDBSZPE-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.56
Rot. Bonds2

About (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone

(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone (PubChem CID 106829172) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
PubChem CID106829172
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)c2ccc(N)c(F)c2)CCCCC1
InChIInChI=1S/C14H18FNO/c1-14(7-3-2-4-8-14)13(17)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8,16H2,1H3
InChIKeyZRMWJCXRDBSZPE-UHFFFAOYSA-N
XLogP3.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone
CID 130553884
(1-methylcyclohexyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106829569
(3,4-difluorophenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567488
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
1-[1-(4-amino-3-fluorophenyl)cyclopentyl]ethanone
CID 117046703
2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209773
(1-methylcyclohexyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106826587
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone (CID 106829172) is (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone is CC1(C(=O)c2ccc(N)c(F)c2)CCCCC1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone?
The InChIKey is ZRMWJCXRDBSZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-14(7-3-2-4-8-14)13(17)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8,16H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone?
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).