2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine

C17H27NO — CID 105348988

IUPAC2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(12-18-2)16-10-8-15(9-11-16)13-19-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3
InChIKeyPJONYWAHIYFLDZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds6

About 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine

2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine (PubChem CID 105348988) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
PubChem CID105348988
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(COC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(12-18-2)16-10-8-15(9-11-16)13-19-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3
InChIKeyPJONYWAHIYFLDZ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(cyclohexyloxymethyl)phenyl]propyl]cyclopropanamine
CID 105348984
2-[4-[(3-methoxycyclohexyl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105350983
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238
1-[4-(cyclopentyloxymethyl)phenyl]-N-methylmethanamine
CID 62445200
N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 105347323
4-(cyclohexyloxymethyl)benzenethiol
CID 91656879
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
[4-(cycloheptyloxymethyl)phenyl]-trimethylsilane
CID 103438663
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine (CID 105348988) is 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(COC2CCCCC2)cc1.
What is the InChIKey of 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is PJONYWAHIYFLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(12-18-2)16-10-8-15(9-11-16)13-19-17-6-4-3-5-7-17/h8-11,14,17-18H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine?
2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexyloxymethyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105348988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).