(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine

C17H27NO — CID 106830418

IUPAC(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)C1(C)CCCCC1
InChIInChI=1S/C17H27NO/c1-13(2)19-15-10-6-5-9-14(15)16(18)17(3)11-7-4-8-12-17/h5-6,9-10,13,16H,4,7-8,11-12,18H2,1-3H3
InChIKeyZCRWWFSYSBRTTH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.44
Rot. Bonds4

About (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine

(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 106830418) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID106830418
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCC(C)Oc1ccccc1C(N)C1(C)CCCCC1
InChIInChI=1S/C17H27NO/c1-13(2)19-15-10-6-5-9-14(15)16(18)17(3)11-7-4-8-12-17/h5-6,9-10,13,16H,4,7-8,11-12,18H2,1-3H3
InChIKeyZCRWWFSYSBRTTH-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 106831316
(1-ethylcyclopentyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018311
(1-methylcyclohexyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 106830058
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
CID 105018412
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
(2-propan-2-yloxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115823724
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine (CID 106830418) is (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine is CC(C)Oc1ccccc1C(N)C1(C)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is ZCRWWFSYSBRTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)19-15-10-6-5-9-14(15)16(18)17(3)11-7-4-8-12-17/h5-6,9-10,13,16H,4,7-8,11-12,18H2,1-3H3.
What are the key properties of (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine?
(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 106830418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).