4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol

C17H28ClNO — CID 142145956

IUPAC4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol
SMILESCCCC(CC)(c1ccc(Cl)cc1)C(N)CC(C)CO
InChIInChI=1S/C17H28ClNO/c1-4-10-17(5-2,16(19)11-13(3)12-20)14-6-8-15(18)9-7-14/h6-9,13,16,20H,4-5,10-12,19H2,1-3H3
InChIKeyYGMXUCCGZJXCRP-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.13
Rot. Bonds8

About 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol

4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol (PubChem CID 142145956) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol.

Molecular Properties

Compound Name4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol
PubChem CID142145956
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol
SMILESCCCC(CC)(c1ccc(Cl)cc1)C(N)CC(C)CO
InChIInChI=1S/C17H28ClNO/c1-4-10-17(5-2,16(19)11-13(3)12-20)14-6-8-15(18)9-7-14/h6-9,13,16,20H,4-5,10-12,19H2,1-3H3
InChIKeyYGMXUCCGZJXCRP-UHFFFAOYSA-N
XLogP4.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine
CID 142145954
4-amino-3-(4-chlorophenyl)-3-ethylpentanoic acid
CID 66097085
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
CID 82017487
5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine
CID 142076103
[2,2-bis(4-chlorophenyl)-2-hydroxyethyl]-[(2S)-butan-2-yl]azanium
CID 7091513
2-amino-4-methylpentane-1,5-diol
CID 72526972
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66091948
2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine
CID 43830852
4-amino-3-phenyl-3-propylhexanoic acid
CID 66096089

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol?
The IUPAC name of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol (CID 142145956) is 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol.
What is the SMILES notation for 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol?
The canonical SMILES for 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol is CCCC(CC)(c1ccc(Cl)cc1)C(N)CC(C)CO.
What is the InChIKey of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol?
The InChIKey is YGMXUCCGZJXCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-4-10-17(5-2,16(19)11-13(3)12-20)14-6-8-15(18)9-7-14/h6-9,13,16,20H,4-5,10-12,19H2,1-3H3.
What are the key properties of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol?
4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol has a molecular weight of 297.87 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol is sourced from PubChem (CID 142145956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).