2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C14H21Cl2N — CID 63517804

IUPAC2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N/c1-10(2)8-17-9-14(3,4)12-6-5-11(15)7-13(12)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyBUKGJFZZWSUILX-UHFFFAOYSA-N
MW274.24 g/mol
LogP4.52
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 63517804) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID63517804
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N/c1-10(2)8-17-9-14(3,4)12-6-5-11(15)7-13(12)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyBUKGJFZZWSUILX-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 82308452
2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
5-[[2-(2,4-dichlorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 110442654
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
CID 54918479
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 63517804) is 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is BUKGJFZZWSUILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-10(2)8-17-9-14(3,4)12-6-5-11(15)7-13(12)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 274.24 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63517804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).