3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene

C13H21Cl2NO — CID 143572824

IUPAC3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene
SMILESCC(C)C(CN)CCO.Clc1ccccc1Cl
InChIInChI=1S/C7H17NO.C6H4Cl2/c1-6(2)7(5-8)3-4-9;7-5-3-1-2-4-6(5)8/h6-7,9H,3-5,8H2,1-2H3;1-4H
InChIKeyVCOSTWFQBSOILU-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.59
Rot. Bonds4

About 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene

3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene (PubChem CID 143572824) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene.

Molecular Properties

Compound Name3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene
PubChem CID143572824
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene
SMILESCC(C)C(CN)CCO.Clc1ccccc1Cl
InChIInChI=1S/C7H17NO.C6H4Cl2/c1-6(2)7(5-8)3-4-9;7-5-3-1-2-4-6(5)8/h6-7,9H,3-5,8H2,1-2H3;1-4H
InChIKeyVCOSTWFQBSOILU-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-4-methylpentan-1-ol
CID 82078258
N'-(2,6-dichlorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442365
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
2-benzyl-3-methylbutan-1-amine
CID 59900587
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 83924661
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015
3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene?
The IUPAC name of 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene (CID 143572824) is 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene.
What is the SMILES notation for 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene?
The canonical SMILES for 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene is CC(C)C(CN)CCO.Clc1ccccc1Cl.
What is the InChIKey of 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene?
The InChIKey is VCOSTWFQBSOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.C6H4Cl2/c1-6(2)7(5-8)3-4-9;7-5-3-1-2-4-6(5)8/h6-7,9H,3-5,8H2,1-2H3;1-4H.
What are the key properties of 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene?
3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene has a molecular weight of 278.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methylpentan-1-ol;1,2-dichlorobenzene is sourced from PubChem (CID 143572824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).