5-[(4-aminocyclohexyl)amino]-2-methylphenol

C13H20N2O — CID 107700897

IUPAC5-[(4-aminocyclohexyl)amino]-2-methylphenol
SMILESCc1ccc(NC2CCC(N)CC2)cc1O
InChIInChI=1S/C13H20N2O/c1-9-2-5-12(8-13(9)16)15-11-6-3-10(14)4-7-11/h2,5,8,10-11,15-16H,3-4,6-7,14H2,1H3
InChIKeyBGMWHJVEOSOYDI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.38
Rot. Bonds2

About 5-[(4-aminocyclohexyl)amino]-2-methylphenol

5-[(4-aminocyclohexyl)amino]-2-methylphenol (PubChem CID 107700897) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-2-methylphenol
PubChem CID107700897
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[(4-aminocyclohexyl)amino]-2-methylphenol
SMILESCc1ccc(NC2CCC(N)CC2)cc1O
InChIInChI=1S/C13H20N2O/c1-9-2-5-12(8-13(9)16)15-11-6-3-10(14)4-7-11/h2,5,8,10-11,15-16H,3-4,6-7,14H2,1H3
InChIKeyBGMWHJVEOSOYDI-UHFFFAOYSA-N
XLogP2.38
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
2-methyl-5-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]phenol
CID 107700226
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
2-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]phenol
CID 107700309
5-[(1,2-dimethylpiperidin-4-yl)amino]-2-methylphenol
CID 107700642
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
CID 79724752
4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-2-methylphenol?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-2-methylphenol (CID 107700897) is 5-[(4-aminocyclohexyl)amino]-2-methylphenol.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-2-methylphenol?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-2-methylphenol is Cc1ccc(NC2CCC(N)CC2)cc1O.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-2-methylphenol?
The InChIKey is BGMWHJVEOSOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-2-5-12(8-13(9)16)15-11-6-3-10(14)4-7-11/h2,5,8,10-11,15-16H,3-4,6-7,14H2,1H3.
What are the key properties of 5-[(4-aminocyclohexyl)amino]-2-methylphenol?
5-[(4-aminocyclohexyl)amino]-2-methylphenol has a molecular weight of 220.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-2-methylphenol is sourced from PubChem (CID 107700897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).