4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol

C19H29NO — CID 106125002

IUPAC4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCc2ccccc2C1NCC1CCC(O)CC1
InChIInChI=1S/C19H29NO/c1-19(2)12-11-15-5-3-4-6-17(15)18(19)20-13-14-7-9-16(21)10-8-14/h3-6,14,16,18,20-21H,7-13H2,1-2H3
InChIKeyIFLNELCLWIFENR-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.84
Rot. Bonds3

About 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol

4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106125002) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106125002
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCc2ccccc2C1NCC1CCC(O)CC1
InChIInChI=1S/C19H29NO/c1-19(2)12-11-15-5-3-4-6-17(15)18(19)20-13-14-7-9-16(21)10-8-14/h3-6,14,16,18,20-21H,7-13H2,1-2H3
InChIKeyIFLNELCLWIFENR-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

5-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]pyrrolidin-2-one
CID 115532104
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532154
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]cyclohexan-1-ol
CID 106126377
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
N-(4-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532012
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol (CID 106125002) is 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol is CC1(C)CCc2ccccc2C1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IFLNELCLWIFENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2)12-11-15-5-3-4-6-17(15)18(19)20-13-14-7-9-16(21)10-8-14/h3-6,14,16,18,20-21H,7-13H2,1-2H3.
What are the key properties of 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol?
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).