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

C18H29Cl2N — CID 115835415

IUPAC1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H29Cl2N/c1-3-5-6-7-8-9-13-17(21-14-4-2)15-11-10-12-16(19)18(15)20/h10-12,17,21H,3-9,13-14H2,1-2H3
InChIKeyRJGYNSMRDPOFDI-UHFFFAOYSA-N
MW330.34 g/mol
LogP6.78
Rot. Bonds11

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

1-(2,3-dichlorophenyl)-N-propylnonan-1-amine (PubChem CID 115835415) has the molecular formula C18H29Cl2N and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
PubChem CID115835415
Molecular FormulaC18H29Cl2N
Molecular Weight330.34 g/mol
Exact Mass329.17
IUPAC Name1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H29Cl2N/c1-3-5-6-7-8-9-13-17(21-14-4-2)15-11-10-12-16(19)18(15)20/h10-12,17,21H,3-9,13-14H2,1-2H3
InChIKeyRJGYNSMRDPOFDI-UHFFFAOYSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dichlorophenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105141909
1-(2,6-dichlorophenyl)-N-propylnonan-1-amine
CID 115835319
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
1-(2,3-dichlorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105141825
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine (CID 115835415) is 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine?
The InChIKey is RJGYNSMRDPOFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Cl2N/c1-3-5-6-7-8-9-13-17(21-14-4-2)15-11-10-12-16(19)18(15)20/h10-12,17,21H,3-9,13-14H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-propylnonan-1-amine?
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 6.78, 11 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-propylnonan-1-amine is sourced from PubChem (CID 115835415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).