3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol

C17H21NO — CID 106136822

IUPAC3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21NO/c19-17-7-3-4-13(10-17)12-18-16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17-19H,3-4,7,10,12H2
InChIKeyWTDYMXFRCIOPEW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.80
Rot. Bonds3

About 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol

3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106136822) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID106136822
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21NO/c19-17-7-3-4-13(10-17)12-18-16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17-19H,3-4,7,10,12H2
InChIKeyWTDYMXFRCIOPEW-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
CID 106119986
3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol
CID 106129278
6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine
CID 81260489
4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
CID 106129313
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
3-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 106129529
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506

Frequently Asked Questions

What is the IUPAC name of 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol (CID 106136822) is 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is WTDYMXFRCIOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-17-7-3-4-13(10-17)12-18-16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17-19H,3-4,7,10,12H2.
What are the key properties of 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol?
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106136822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).