3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine

C15H23Cl2N — CID 65316933

IUPAC3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2N/c1-4-8-18-11(3)12(5-2)9-13-10-14(16)6-7-15(13)17/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyTUWPPNIVMRCSCJ-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.95
Rot. Bonds7

About 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine

3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine (PubChem CID 65316933) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
PubChem CID65316933
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2N/c1-4-8-18-11(3)12(5-2)9-13-10-14(16)6-7-15(13)17/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyTUWPPNIVMRCSCJ-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
1-(2,5-dichlorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721742
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine
CID 115863276
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
N-[2-(2,5-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115863050
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine (CID 65316933) is 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine?
The InChIKey is TUWPPNIVMRCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-4-8-18-11(3)12(5-2)9-13-10-14(16)6-7-15(13)17/h6-7,10-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine?
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine has a molecular weight of 288.26 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 65316933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).