4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol

C15H24N2O2 — CID 106120202

IUPAC4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
SMILESCCOc1cccc(NCC2CCC(O)CC2)c1N
InChIInChI=1S/C15H24N2O2/c1-2-19-14-5-3-4-13(15(14)16)17-10-11-6-8-12(18)9-7-11/h3-5,11-12,17-18H,2,6-10,16H2,1H3
InChIKeyCUXVLZIQZJUGFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.63
Rot. Bonds5

About 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol

4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol (PubChem CID 106120202) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
PubChem CID106120202
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
SMILESCCOc1cccc(NCC2CCC(O)CC2)c1N
InChIInChI=1S/C15H24N2O2/c1-2-19-14-5-3-4-13(15(14)16)17-10-11-6-8-12(18)9-7-11/h3-5,11-12,17-18H,2,6-10,16H2,1H3
InChIKeyCUXVLZIQZJUGFX-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
2-(2-amino-3-ethoxyanilino)ethylurea
CID 113392780
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine
CID 114099220
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
3-ethoxy-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 113478575
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol (CID 106120202) is 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol is CCOc1cccc(NCC2CCC(O)CC2)c1N.
What is the InChIKey of 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol?
The InChIKey is CUXVLZIQZJUGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-14-5-3-4-13(15(14)16)17-10-11-6-8-12(18)9-7-11/h3-5,11-12,17-18H,2,6-10,16H2,1H3.
What are the key properties of 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol?
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).