4-[[(3-aminocyclohexyl)amino]methyl]phenol

C13H20N2O — CID 114331392

IUPAC4-[[(3-aminocyclohexyl)amino]methyl]phenol
SMILESNC1CCCC(NCc2ccc(O)cc2)C1
InChIInChI=1S/C13H20N2O/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h4-7,11-12,15-16H,1-3,8-9,14H2
InChIKeyDLXAZBVWOWTJSU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.75
Rot. Bonds3

About 4-[[(3-aminocyclohexyl)amino]methyl]phenol

4-[[(3-aminocyclohexyl)amino]methyl]phenol (PubChem CID 114331392) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[[(3-aminocyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-aminocyclohexyl)amino]methyl]phenol
PubChem CID114331392
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[[(3-aminocyclohexyl)amino]methyl]phenol
SMILESNC1CCCC(NCc2ccc(O)cc2)C1
InChIInChI=1S/C13H20N2O/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h4-7,11-12,15-16H,1-3,8-9,14H2
InChIKeyDLXAZBVWOWTJSU-UHFFFAOYSA-N
XLogP1.75
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
4-[(cyclopentylamino)methyl]phenol
CID 3873791
4-[[(3-aminocyclohexyl)amino]methyl]benzonitrile
CID 79459349
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
CID 79461380
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
4-[[[3-(hydroxymethyl)cyclohexyl]amino]methyl]benzonitrile
CID 112753314

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-aminocyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-[[(3-aminocyclohexyl)amino]methyl]phenol (CID 114331392) is 4-[[(3-aminocyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(3-aminocyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(3-aminocyclohexyl)amino]methyl]phenol is NC1CCCC(NCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[[(3-aminocyclohexyl)amino]methyl]phenol?
The InChIKey is DLXAZBVWOWTJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-11-2-1-3-12(8-11)15-9-10-4-6-13(16)7-5-10/h4-7,11-12,15-16H,1-3,8-9,14H2.
What are the key properties of 4-[[(3-aminocyclohexyl)amino]methyl]phenol?
4-[[(3-aminocyclohexyl)amino]methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-aminocyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 114331392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).