N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine

C18H28FNO — CID 63474259

IUPACN-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
SMILESCCCNCC(OC1CCC(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H28FNO/c1-3-12-20-13-18(15-6-8-16(19)9-7-15)21-17-10-4-14(2)5-11-17/h6-9,14,17-18,20H,3-5,10-13H2,1-2H3
InChIKeyZWXFMVJBUSNGNU-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine

N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine (PubChem CID 63474259) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
PubChem CID63474259
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
SMILESCCCNCC(OC1CCC(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H28FNO/c1-3-12-20-13-18(15-6-8-16(19)9-7-15)21-17-10-4-14(2)5-11-17/h6-9,14,17-18,20H,3-5,10-13H2,1-2H3
InChIKeyZWXFMVJBUSNGNU-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63475863
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62107691
N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
CID 62108098
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
2-(cyclopropylmethoxy)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 55036276
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine (CID 63474259) is N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine is CCCNCC(OC1CCC(C)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
The InChIKey is ZWXFMVJBUSNGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-12-20-13-18(15-6-8-16(19)9-7-15)21-17-10-4-14(2)5-11-17/h6-9,14,17-18,20H,3-5,10-13H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine is sourced from PubChem (CID 63474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).