2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine

C18H29NO2 — CID 105350983

IUPAC2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COC2CCCC(OC)C2)cc1
InChIInChI=1S/C18H29NO2/c1-14(12-19-2)16-9-7-15(8-10-16)13-21-18-6-4-5-17(11-18)20-3/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyPVTLMOXZPCYEMA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.48
Rot. Bonds7

About 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine

2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105350983) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
PubChem CID105350983
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COC2CCCC(OC)C2)cc1
InChIInChI=1S/C18H29NO2/c1-14(12-19-2)16-9-7-15(8-10-16)13-21-18-6-4-5-17(11-18)20-3/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyPVTLMOXZPCYEMA-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
CID 105348988
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238
N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62456835
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 105347323
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
CID 65339146
2-fluoro-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
CID 107881229

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine (CID 105350983) is 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(COC2CCCC(OC)C2)cc1.
What is the InChIKey of 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is PVTLMOXZPCYEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(12-19-2)16-9-7-15(8-10-16)13-21-18-6-4-5-17(11-18)20-3/h7-10,14,17-19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine?
2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105350983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).