2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine

C16H25Cl2N — CID 63520801

IUPAC2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C16H25Cl2N/c1-11(2)9-19-10-13(12(3)4)8-14-15(17)6-5-7-16(14)18/h5-7,11-13,19H,8-10H2,1-4H3
InChIKeyGLQXFVFZPAUXHR-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.05
Rot. Bonds7

About 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine

2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63520801) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63520801
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(Cc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C16H25Cl2N/c1-11(2)9-19-10-13(12(3)4)8-14-15(17)6-5-7-16(14)18/h5-7,11-13,19H,8-10H2,1-4H3
InChIKeyGLQXFVFZPAUXHR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 102858672
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
CID 61000700
2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530358
5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
2-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507266
2-[(3-chlorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138262
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
CID 63459849

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 63520801) is 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(Cc1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is GLQXFVFZPAUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-11(2)9-19-10-13(12(3)4)8-14-15(17)6-5-7-16(14)18/h5-7,11-13,19H,8-10H2,1-4H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63520801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).