2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol

C16H26N2O — CID 61450727

IUPAC2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol
SMILESCCC1CCC(N(C)Cc2ccc(O)c(N)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-12-4-7-14(8-5-12)18(2)11-13-6-9-16(19)15(17)10-13/h6,9-10,12,14,19H,3-5,7-8,11,17H2,1-2H3
InChIKeyBVJWYJGLGJPNKB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds4

About 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol

2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol (PubChem CID 61450727) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol
PubChem CID61450727
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol
SMILESCCC1CCC(N(C)Cc2ccc(O)c(N)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-12-4-7-14(8-5-12)18(2)11-13-6-9-16(19)15(17)10-13/h6,9-10,12,14,19H,3-5,7-8,11,17H2,1-2H3
InChIKeyBVJWYJGLGJPNKB-UHFFFAOYSA-N
XLogP3.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol?
The IUPAC name of 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol (CID 61450727) is 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol?
The canonical SMILES for 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol is CCC1CCC(N(C)Cc2ccc(O)c(N)c2)CC1.
What is the InChIKey of 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol?
The InChIKey is BVJWYJGLGJPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-12-4-7-14(8-5-12)18(2)11-13-6-9-16(19)15(17)10-13/h6,9-10,12,14,19H,3-5,7-8,11,17H2,1-2H3.
What are the key properties of 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol?
2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[(4-ethylcyclohexyl)-methylamino]methyl]phenol is sourced from PubChem (CID 61450727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).