2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine

C18H29NO — CID 64748080

IUPAC2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCC1CCC(Oc2ccccc2CNC(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-14-9-11-16(12-10-14)20-17-8-6-5-7-15(17)13-19-18(2,3)4/h5-8,14,16,19H,9-13H2,1-4H3
InChIKeyOVBRVHOPOPEMKC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds4

About 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine

2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine (PubChem CID 64748080) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
PubChem CID64748080
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCC1CCC(Oc2ccccc2CNC(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-14-9-11-16(12-10-14)20-17-8-6-5-7-15(17)13-19-18(2,3)4/h5-8,14,16,19H,9-13H2,1-4H3
InChIKeyOVBRVHOPOPEMKC-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
CID 114319831
1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
CID 64747332
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64738951
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
1-tert-butyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine
CID 110964191
N-[[3-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075746
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine (CID 64748080) is 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine is CC1CCC(Oc2ccccc2CNC(C)(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is OVBRVHOPOPEMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-9-11-16(12-10-14)20-17-8-6-5-7-15(17)13-19-18(2,3)4/h5-8,14,16,19H,9-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 64748080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).