N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine

C17H27NO — CID 55077909

IUPACN-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COC2CCCC(C)C2)c1
InChIInChI=1S/C17H27NO/c1-3-18-12-15-7-5-8-16(11-15)13-19-17-9-4-6-14(2)10-17/h5,7-8,11,14,17-18H,3-4,6,9-10,12-13H2,1-2H3
InChIKeyQDQPHRRQVNUTPQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds6

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

N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine (PubChem CID 55077909) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
PubChem CID55077909
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COC2CCCC(C)C2)c1
InChIInChI=1S/C17H27NO/c1-3-18-12-15-7-5-8-16(11-15)13-19-17-9-4-6-14(2)10-17/h5,7-8,11,14,17-18H,3-4,6,9-10,12-13H2,1-2H3
InChIKeyQDQPHRRQVNUTPQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
N-[[5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62456466
N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456091
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62456835
N-benzyl-3-(3-methylcyclohexyl)oxypropan-1-amine
CID 114783095
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
CID 60599927

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine (CID 55077909) is N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine is CCNCc1cccc(COC2CCCC(C)C2)c1.
What is the InChIKey of N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
The InChIKey is QDQPHRRQVNUTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18-12-15-7-5-8-16(11-15)13-19-17-9-4-6-14(2)10-17/h5,7-8,11,14,17-18H,3-4,6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 55077909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).