N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine

C18H29NO — CID 115464650

IUPACN-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1COC1CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-3-19-12-11-16-8-4-5-9-17(16)14-20-18-10-6-7-15(2)13-18/h4-5,8-9,15,18-19H,3,6-7,10-14H2,1-2H3
InChIKeyIKTAXKARSNZSJT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.93
Rot. Bonds7

About N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine

N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine (PubChem CID 115464650) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
PubChem CID115464650
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1COC1CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-3-19-12-11-16-8-4-5-9-17(16)14-20-18-10-6-7-15(2)13-18/h4-5,8-9,15,18-19H,3,6-7,10-14H2,1-2H3
InChIKeyIKTAXKARSNZSJT-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.93
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-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
CID 115465037
N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456091
N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 55077909
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[2-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 105349825
4-chloro-2-[(3-methylcyclohexyl)oxymethyl]aniline
CID 79582982
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine (CID 115464650) is N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine is CCNCCc1ccccc1COC1CCCC(C)C1.
What is the InChIKey of N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
The InChIKey is IKTAXKARSNZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-12-11-16-8-4-5-9-17(16)14-20-18-10-6-7-15(2)13-18/h4-5,8-9,15,18-19H,3,6-7,10-14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine is sourced from PubChem (CID 115464650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).