N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

C18H28FNO — CID 116769648

IUPACN-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H28FNO/c1-5-20-16(14-8-6-7-9-15(14)19)18(21-4)12-10-17(2,3)11-13-18/h6-9,16,20H,5,10-13H2,1-4H3
InChIKeyYPTCAUCLFNDDGI-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.46
Rot. Bonds5

About N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 116769648) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID116769648
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H28FNO/c1-5-20-16(14-8-6-7-9-15(14)19)18(21-4)12-10-17(2,3)11-13-18/h6-9,16,20H,5,10-13H2,1-4H3
InChIKeyYPTCAUCLFNDDGI-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-[(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102834015
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
[(2-fluorophenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275988
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063225
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897
N-[(2,3-dimethylphenyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766612

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (CID 116769648) is N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1ccccc1F)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is YPTCAUCLFNDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-20-16(14-8-6-7-9-15(14)19)18(21-4)12-10-17(2,3)11-13-18/h6-9,16,20H,5,10-13H2,1-4H3.
What are the key properties of N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116769648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).