1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol

C23H33NO — CID 166351014

IUPAC1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
SMILESCC(C)C1CCC(C(C)(O)CNCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H33NO/c1-17(2)19-10-12-22(13-11-19)23(3,25)16-24-15-18-8-9-20-6-4-5-7-21(20)14-18/h4-9,14,17,19,22,24-25H,10-13,15-16H2,1-3H3
InChIKeyOERXWKGPQRVWHX-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.14
Rot. Bonds6

About 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol

1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol (PubChem CID 166351014) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
PubChem CID166351014
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
SMILESCC(C)C1CCC(C(C)(O)CNCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H33NO/c1-17(2)19-10-12-22(13-11-19)23(3,25)16-24-15-18-8-9-20-6-4-5-7-21(20)14-18/h4-9,14,17,19,22,24-25H,10-13,15-16H2,1-3H3
InChIKeyOERXWKGPQRVWHX-UHFFFAOYSA-N
XLogP5.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 166351066
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 167933657
2-(4-ethylcyclohexyl)-1-[(8-fluoroquinolin-3-yl)methylamino]propan-2-ol
CID 166350955
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62351212
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The IUPAC name of 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol (CID 166351014) is 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol.
What is the SMILES notation for 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The canonical SMILES for 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol is CC(C)C1CCC(C(C)(O)CNCc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The InChIKey is OERXWKGPQRVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-17(2)19-10-12-22(13-11-19)23(3,25)16-24-15-18-8-9-20-6-4-5-7-21(20)14-18/h4-9,14,17,19,22,24-25H,10-13,15-16H2,1-3H3.
What are the key properties of 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol has a molecular weight of 339.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol is sourced from PubChem (CID 166351014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).