1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine

C17H27Cl2N — CID 115851225

IUPAC1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(CCC)CCC
InChIInChI=1S/C17H27Cl2N/c1-4-8-13(9-5-2)17(20-12-6-3)14-10-7-11-15(18)16(14)19/h7,10-11,13,17,20H,4-6,8-9,12H2,1-3H3
InChIKeyFHBGOYCCVVQVFE-UHFFFAOYSA-N
MW316.32 g/mol
LogP6.25
Rot. Bonds9

About 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine

1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine (PubChem CID 115851225) has the molecular formula C17H27Cl2N and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
PubChem CID115851225
Molecular FormulaC17H27Cl2N
Molecular Weight316.32 g/mol
Exact Mass315.15
IUPAC Name1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1cccc(Cl)c1Cl)C(CCC)CCC
InChIInChI=1S/C17H27Cl2N/c1-4-8-13(9-5-2)17(20-12-6-3)14-10-7-11-15(18)16(14)19/h7,10-11,13,17,20H,4-6,8-9,12H2,1-3H3
InChIKeyFHBGOYCCVVQVFE-UHFFFAOYSA-N
XLogP6.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493376
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine (CID 115851225) is 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine is CCCNC(c1cccc(Cl)c1Cl)C(CCC)CCC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine?
The InChIKey is FHBGOYCCVVQVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2N/c1-4-8-13(9-5-2)17(20-12-6-3)14-10-7-11-15(18)16(14)19/h7,10-11,13,17,20H,4-6,8-9,12H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine?
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine has a molecular weight of 316.32 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 115851225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).