N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine

C16H25Cl2N — CID 43731133

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(NC(C)(C)CC(C)(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-11(13-9-12(17)7-8-14(13)18)19-16(5,6)10-15(2,3)4/h7-9,11,19H,10H2,1-6H3
InChIKeyOPDDHEQUNNNRHY-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.86
Rot. Bonds4

About N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine

N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 43731133) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine
PubChem CID43731133
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(NC(C)(C)CC(C)(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H25Cl2N/c1-11(13-9-12(17)7-8-14(13)18)19-16(5,6)10-15(2,3)4/h7-9,11,19H,10H2,1-6H3
InChIKeyOPDDHEQUNNNRHY-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 82964931
tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250064
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
(2S)-1-[1-(2,5-dichlorophenyl)ethylamino]propan-2-ol
CID 103906527
(2R)-1-[[(1S)-1-(2,5-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082097
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63983384
2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43731152
1-(2,5-dichlorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 62049139
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43106131
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
CID 103922444
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113493904

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine (CID 43731133) is N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine is CC(NC(C)(C)CC(C)(C)C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is OPDDHEQUNNNRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-11(13-9-12(17)7-8-14(13)18)19-16(5,6)10-15(2,3)4/h7-9,11,19H,10H2,1-6H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 302.29 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43731133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).