1-(2,3-dichlorophenyl)undecan-1-amine

C17H27Cl2N — CID 115846022

IUPAC1-(2,3-dichlorophenyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H27Cl2N/c1-2-3-4-5-6-7-8-9-13-16(20)14-11-10-12-15(18)17(14)19/h10-12,16H,2-9,13,20H2,1H3
InChIKeyVTFJMYHUJHINAO-UHFFFAOYSA-N
MW316.32 g/mol
LogP6.52
Rot. Bonds10

About 1-(2,3-dichlorophenyl)undecan-1-amine

1-(2,3-dichlorophenyl)undecan-1-amine (PubChem CID 115846022) has the molecular formula C17H27Cl2N and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)undecan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)undecan-1-amine
PubChem CID115846022
Molecular FormulaC17H27Cl2N
Molecular Weight316.32 g/mol
Exact Mass315.15
IUPAC Name1-(2,3-dichlorophenyl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H27Cl2N/c1-2-3-4-5-6-7-8-9-13-16(20)14-11-10-12-15(18)17(14)19/h10-12,16H,2-9,13,20H2,1H3
InChIKeyVTFJMYHUJHINAO-UHFFFAOYSA-N
XLogP6.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.32
LogP ≤ 56.52
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

(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2-methylphenyl)nonan-1-amine
CID 63412316

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)undecan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)undecan-1-amine (CID 115846022) is 1-(2,3-dichlorophenyl)undecan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)undecan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)undecan-1-amine is CCCCCCCCCCC(N)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)undecan-1-amine?
The InChIKey is VTFJMYHUJHINAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2N/c1-2-3-4-5-6-7-8-9-13-16(20)14-11-10-12-15(18)17(14)19/h10-12,16H,2-9,13,20H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)undecan-1-amine?
1-(2,3-dichlorophenyl)undecan-1-amine has a molecular weight of 316.32 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)undecan-1-amine is sourced from PubChem (CID 115846022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).