[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

C18H29NO — CID 43101222

IUPAC[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCC(C(C)C)C(OCc2ccccc2CN)C1
InChIInChI=1S/C18H29NO/c1-13(2)17-9-8-14(3)10-18(17)20-12-16-7-5-4-6-15(16)11-19/h4-7,13-14,17-18H,8-12,19H2,1-3H3
InChIKeyFRHTYXIJRZFOIV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.12
Rot. Bonds5

About [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine

[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (PubChem CID 43101222) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
PubChem CID43101222
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
SMILESCC1CCC(C(C)C)C(OCc2ccccc2CN)C1
InChIInChI=1S/C18H29NO/c1-13(2)17-9-8-14(3)10-18(17)20-12-16-7-5-4-6-15(16)11-19/h4-7,13-14,17-18H,8-12,19H2,1-3H3
InChIKeyFRHTYXIJRZFOIV-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-yl]methanamine
CID 62445744
[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 62895472
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
2,6-bis[2-[6-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]pyridine
CID 101195744
2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-6-[2-[2-[2-[6-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]pyridine
CID 102271450
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminophenyl)acetate
CID 61308508
[5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenyl]methanamine
CID 63458733

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The IUPAC name of [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine (CID 43101222) is [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is CC1CCC(C(C)C)C(OCc2ccccc2CN)C1.
What is the InChIKey of [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
The InChIKey is FRHTYXIJRZFOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)17-9-8-14(3)10-18(17)20-12-16-7-5-4-6-15(16)11-19/h4-7,13-14,17-18H,8-12,19H2,1-3H3.
What are the key properties of [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine?
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 43101222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).