4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol

C14H22N2O2 — CID 62312790

IUPAC4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2CCC(N)CC2)ccc1O
InChIInChI=1S/C14H22N2O2/c1-18-14-8-10(2-7-13(14)17)9-16-12-5-3-11(15)4-6-12/h2,7-8,11-12,16-17H,3-6,9,15H2,1H3
InChIKeyHBXNYLNDXJVQRG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds4

About 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol

4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol (PubChem CID 62312790) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
PubChem CID62312790
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC2CCC(N)CC2)ccc1O
InChIInChI=1S/C14H22N2O2/c1-18-14-8-10(2-7-13(14)17)9-16-12-5-3-11(15)4-6-12/h2,7-8,11-12,16-17H,3-6,9,15H2,1H3
InChIKeyHBXNYLNDXJVQRG-UHFFFAOYSA-N
XLogP1.76
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
2-methoxy-4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]phenol
CID 65470463
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391
2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol (CID 62312790) is 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol is COc1cc(CNC2CCC(N)CC2)ccc1O.
What is the InChIKey of 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol?
The InChIKey is HBXNYLNDXJVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-14-8-10(2-7-13(14)17)9-16-12-5-3-11(15)4-6-12/h2,7-8,11-12,16-17H,3-6,9,15H2,1H3.
What are the key properties of 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol?
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol has a molecular weight of 250.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 62312790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).