N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine

C18H29NO — CID 107177352

IUPACN-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCCCC1(C)C
InChIInChI=1S/C18H29NO/c1-5-19-17(14-9-11-15(20-4)12-10-14)16-8-6-7-13-18(16,2)3/h9-12,16-17,19H,5-8,13H2,1-4H3
InChIKeyFCIXXQDCLOJPAV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.56
Rot. Bonds5

About N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine

N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 107177352) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID107177352
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCCCC1(C)C
InChIInChI=1S/C18H29NO/c1-5-19-17(14-9-11-15(20-4)12-10-14)16-8-6-7-13-18(16,2)3/h9-12,16-17,19H,5-8,13H2,1-4H3
InChIKeyFCIXXQDCLOJPAV-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177351
N-[(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107191360
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(2,2-dimethylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107177896
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine (CID 107177352) is N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)C1CCCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is FCIXXQDCLOJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(14-9-11-15(20-4)12-10-14)16-8-6-7-13-18(16,2)3/h9-12,16-17,19H,5-8,13H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107177352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).