N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine

C19H31NO — CID 63491769

IUPACN-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COC1CCCCC1CC
InChIInChI=1S/C19H31NO/c1-3-13-20-14-17-10-5-6-11-18(17)15-21-19-12-8-7-9-16(19)4-2/h5-6,10-11,16,19-20H,3-4,7-9,12-15H2,1-2H3
InChIKeyWRACPWHGEQBYEF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.67
Rot. Bonds8

About N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine

N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 63491769) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
PubChem CID63491769
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COC1CCCCC1CC
InChIInChI=1S/C19H31NO/c1-3-13-20-14-17-10-5-6-11-18(17)15-21-19-12-8-7-9-16(19)4-2/h5-6,10-11,16,19-20H,3-4,7-9,12-15H2,1-2H3
InChIKeyWRACPWHGEQBYEF-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.67
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-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
N-[[3-(2-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 63862466
N-[[2-[(2-ethylcyclohexyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62445110
N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186105
N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 62292114
N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 63473660
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzonitrile
CID 107115121
N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine
CID 62444742

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine (CID 63491769) is N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COC1CCCCC1CC.
What is the InChIKey of N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is WRACPWHGEQBYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-13-20-14-17-10-5-6-11-18(17)15-21-19-12-8-7-9-16(19)4-2/h5-6,10-11,16,19-20H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine?
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63491769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).