2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol

C19H31NO — CID 106252164

IUPAC2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-19(4-2,15-21)14-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-7,10-11,17-18,20-21H,3-4,8-9,12-15H2,1-2H3
InChIKeyVUFSYFDOCKRNGD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.10
Rot. Bonds7

About 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol (PubChem CID 106252164) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
PubChem CID106252164
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-19(4-2,15-21)14-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-7,10-11,17-18,20-21H,3-4,8-9,12-15H2,1-2H3
InChIKeyVUFSYFDOCKRNGD-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
CID 81412753
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
3-[(2-phenylcyclohexyl)amino]pentan-1-ol
CID 115723129
N,N-diethyl-2-[(2-phenylcyclohexyl)amino]acetamide
CID 115712662
4,4-dimethyl-1-[(2-phenylcyclohexyl)amino]pentan-2-ol
CID 107151533
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol (CID 106252164) is 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCCCC1c1ccccc1.
What is the InChIKey of 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol?
The InChIKey is VUFSYFDOCKRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-19(4-2,15-21)14-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-7,10-11,17-18,20-21H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 106252164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).