7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

C16H23NO — CID 11149261

IUPAC7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CCC1NCC1CC1
InChIInChI=1S/C16H23NO/c1-16(2)14-9-13(18)7-5-12(14)6-8-15(16)17-10-11-3-4-11/h5,7,9,11,15,17-18H,3-4,6,8,10H2,1-2H3
InChIKeyKKWFCINPWIRORD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.98
Rot. Bonds3

About 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 11149261) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID11149261
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CCC1NCC1CC1
InChIInChI=1S/C16H23NO/c1-16(2)14-9-13(18)7-5-12(14)6-8-15(16)17-10-11-3-4-11/h5,7,9,11,15,17-18H,3-4,6,8,10H2,1-2H3
InChIKeyKKWFCINPWIRORD-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol (CID 11149261) is 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol is CC1(C)c2cc(O)ccc2CCC1NCC1CC1.
What is the InChIKey of 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is KKWFCINPWIRORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)14-9-13(18)7-5-12(14)6-8-15(16)17-10-11-3-4-11/h5,7,9,11,15,17-18H,3-4,6,8,10H2,1-2H3.
What are the key properties of 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 245.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethylamino)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 11149261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).