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

C16H25Cl2N — CID 65303779

IUPAC5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)CCc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-12(2)11-19-9-8-13(3)4-5-14-10-15(17)6-7-16(14)18/h6-7,10,12-13,19H,4-5,8-9,11H2,1-3H3
InChIKeyKLWORMOCXRGAFL-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.20
Rot. Bonds8

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

5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65303779) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID65303779
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCC(C)CCc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-12(2)11-19-9-8-13(3)4-5-14-10-15(17)6-7-16(14)18/h6-7,10,12-13,19H,4-5,8-9,11H2,1-3H3
InChIKeyKLWORMOCXRGAFL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.20
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

5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
5-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115485089
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
4-(3,4-dichlorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81018871
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (CID 65303779) is 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCC(C)CCc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is KLWORMOCXRGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-12(2)11-19-9-8-13(3)4-5-14-10-15(17)6-7-16(14)18/h6-7,10,12-13,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65303779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).