2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol

C19H25NO — CID 68673520

IUPAC2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc3ccccc3c2)CCCCC1O
InChIInChI=1S/C19H25NO/c1-20(2)14-19(12-6-5-9-18(19)21)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13,18,21H,5-6,9,12,14H2,1-2H3
InChIKeyXMTSFSJFANMZNO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.57
Rot. Bonds3

About 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol

2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 68673520) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol
PubChem CID68673520
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol
SMILESCN(C)CC1(c2ccc3ccccc3c2)CCCCC1O
InChIInChI=1S/C19H25NO/c1-20(2)14-19(12-6-5-9-18(19)21)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13,18,21H,5-6,9,12,14H2,1-2H3
InChIKeyXMTSFSJFANMZNO-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol (CID 68673520) is 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol is CN(C)CC1(c2ccc3ccccc3c2)CCCCC1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is XMTSFSJFANMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-20(2)14-19(12-6-5-9-18(19)21)17-11-10-15-7-3-4-8-16(15)13-17/h3-4,7-8,10-11,13,18,21H,5-6,9,12,14H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 68673520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).