(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol

C24H35NO2 — CID 67413963

IUPAC(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol
SMILESCc1c(OC2CCC(C(C)(C)C)CC2)ccc2cc([C@@](C)(N)CO)ccc12
InChIInChI=1S/C24H35NO2/c1-16-21-12-9-19(24(5,25)15-26)14-17(21)6-13-22(16)27-20-10-7-18(8-11-20)23(2,3)4/h6,9,12-14,18,20,26H,7-8,10-11,15,25H2,1-5H3/t18?,20?,24-/m0/s1
InChIKeyKOCMRIGDXZWIAT-IWRZYZMASA-N
MW369.55 g/mol
LogP5.30
Rot. Bonds4

About (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol (PubChem CID 67413963) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol
PubChem CID67413963
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol
SMILESCc1c(OC2CCC(C(C)(C)C)CC2)ccc2cc([C@@](C)(N)CO)ccc12
InChIInChI=1S/C24H35NO2/c1-16-21-12-9-19(24(5,25)15-26)14-17(21)6-13-22(16)27-20-10-7-18(8-11-20)23(2,3)4/h6,9,12-14,18,20,26H,7-8,10-11,15,25H2,1-5H3/t18?,20?,24-/m0/s1
InChIKeyKOCMRIGDXZWIAT-IWRZYZMASA-N
XLogP5.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-amine
CID 67414258
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5,7,8-trichloronaphthalen-2-yl]propan-1-ol
CID 67415242
(2R)-2-amino-2-[6-(4-cyclopentylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196242
(2R)-2-amino-2-[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196262
2-[6-(4-tert-butylcyclohexyl)oxy-5-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]propan-2-amine
CID 67414692
(2R)-2-amino-2-[6-(4-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196153
(2R)-2-amino-2-[6-(4-butan-2-ylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol
CID 46196243
5-(4-tert-butylcyclohexyl)oxynaphthalen-2-amine
CID 90037592
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
CID 123862980
2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
CID 68605408
3-[2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-2-ylamino]propanoic acid
CID 70496663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol (CID 67413963) is (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol is Cc1c(OC2CCC(C(C)(C)C)CC2)ccc2cc([C@@](C)(N)CO)ccc12.
What is the InChIKey of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol?
The InChIKey is KOCMRIGDXZWIAT-IWRZYZMASA-N. The full InChI is InChI=1S/C24H35NO2/c1-16-21-12-9-19(24(5,25)15-26)14-17(21)6-13-22(16)27-20-10-7-18(8-11-20)23(2,3)4/h6,9,12-14,18,20,26H,7-8,10-11,15,25H2,1-5H3/t18?,20?,24-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol has a molecular weight of 369.55 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-5-methylnaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 67413963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).