1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine

C15H23Cl2N — CID 114874375

IUPAC1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2N/c1-4-8-18-15(9-11(3)5-2)13-10-12(16)6-7-14(13)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyNCTYRQWPHSQPMN-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.47
Rot. Bonds7

About 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine

1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874375) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874375
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2N/c1-4-8-18-15(9-11(3)5-2)13-10-12(16)6-7-14(13)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyNCTYRQWPHSQPMN-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(2,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 43492979
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(2,5-dichlorophenyl)-3-methoxy-N-propylpropan-1-amine
CID 62791896
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
[1-(5-chloro-2-methylphenyl)-3-methylpentyl]hydrazine
CID 105298675

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine (CID 114874375) is 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is NCTYRQWPHSQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-4-8-18-15(9-11(3)5-2)13-10-12(16)6-7-14(13)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine?
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).