(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine

C17H30ClNO — CID 142145954

IUPAC(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine
SMILESCCC(CC)(CC[C@@H](C)CO)c1ccc(Cl)cc1.CN
InChIInChI=1S/C16H25ClO.CH5N/c1-4-16(5-2,11-10-13(3)12-18)14-6-8-15(17)9-7-14;1-2/h6-9,13,18H,4-5,10-12H2,1-3H3;2H2,1H3/t13-;/m1./s1
InChIKeyQXUFZKIQUIMGDQ-BTQNPOSSSA-N
MW299.89 g/mol
LogP4.38
Rot. Bonds7

About (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine

(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine (PubChem CID 142145954) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine.

Molecular Properties

Compound Name(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine
PubChem CID142145954
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC Name(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine
SMILESCCC(CC)(CC[C@@H](C)CO)c1ccc(Cl)cc1.CN
InChIInChI=1S/C16H25ClO.CH5N/c1-4-16(5-2,11-10-13(3)12-18)14-6-8-15(17)9-7-14;1-2/h6-9,13,18H,4-5,10-12H2,1-3H3;2H2,1H3/t13-;/m1./s1
InChIKeyQXUFZKIQUIMGDQ-BTQNPOSSSA-N
XLogP4.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-(4-chlorophenyl)-5-ethyl-2-methyloctan-1-ol
CID 142145956
1-chloro-4-[1-chloro-2-(chloromethyl)butan-2-yl]benzene
CID 79453553
2-(4-chlorophenyl)-4-methyl-2-propylpentan-1-amine
CID 82017487
5-ethyl-2-methylheptane-1,5-diol
CID 174921855
2-(4-chlorophenyl)-2-(2-ethylsulfonylethyl)propane-1,3-diol
CID 79450052
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
CID 103905460
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
CID 119768490
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
2-(4-chlorophenyl)-2-(methoxymethyl)propane-1,3-diol
CID 103985263
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine?
The IUPAC name of (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine (CID 142145954) is (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine.
What is the SMILES notation for (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine?
The canonical SMILES for (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine is CCC(CC)(CC[C@@H](C)CO)c1ccc(Cl)cc1.CN.
What is the InChIKey of (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine?
The InChIKey is QXUFZKIQUIMGDQ-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H25ClO.CH5N/c1-4-16(5-2,11-10-13(3)12-18)14-6-8-15(17)9-7-14;1-2/h6-9,13,18H,4-5,10-12H2,1-3H3;2H2,1H3/t13-;/m1./s1.
What are the key properties of (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine?
(2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine has a molecular weight of 299.89 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-chlorophenyl)-5-ethyl-2-methylheptan-1-ol;methanamine is sourced from PubChem (CID 142145954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).