1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine

C16H25Cl2N — CID 81492270

IUPAC1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H25Cl2N/c1-5-10-19-15(8-9-16(2,3)4)12-6-7-13(17)14(18)11-12/h6-7,11,15,19H,5,8-10H2,1-4H3
InChIKeyVPTBRGCODBTWIZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.86
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 81492270) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID81492270
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H25Cl2N/c1-5-10-19-15(8-9-16(2,3)4)12-6-7-13(17)14(18)11-12/h6-7,11,15,19H,5,8-10H2,1-4H3
InChIKeyVPTBRGCODBTWIZ-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(4-ethoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849837
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 81492270) is 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is VPTBRGCODBTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-5-10-19-15(8-9-16(2,3)4)12-6-7-13(17)14(18)11-12/h6-7,11,15,19H,5,8-10H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 81492270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).