2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol

C17H28N2O — CID 104692736

IUPAC2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
SMILESCCC1CCCCCN1CC(N)(CO)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-16-11-7-4-8-12-19(16)13-17(18,14-20)15-9-5-3-6-10-15/h3,5-6,9-10,16,20H,2,4,7-8,11-14,18H2,1H3
InChIKeyRMTJTFUKDNZEAW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.49
Rot. Bonds5

About 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol

2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol (PubChem CID 104692736) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
PubChem CID104692736
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
SMILESCCC1CCCCCN1CC(N)(CO)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-16-11-7-4-8-12-19(16)13-17(18,14-20)15-9-5-3-6-10-15/h3,5-6,9-10,16,20H,2,4,7-8,11-14,18H2,1H3
InChIKeyRMTJTFUKDNZEAW-UHFFFAOYSA-N
XLogP2.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
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1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
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1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
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1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]piperidin-2-yl]methanol
CID 62260867

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol (CID 104692736) is 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol is CCC1CCCCCN1CC(N)(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol?
The InChIKey is RMTJTFUKDNZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-16-11-7-4-8-12-19(16)13-17(18,14-20)15-9-5-3-6-10-15/h3,5-6,9-10,16,20H,2,4,7-8,11-14,18H2,1H3.
What are the key properties of 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol?
2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 104692736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).