N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine

C14H21Cl2N — CID 43102306

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-5-9(2)10(3)17-11(4)12-6-7-13(15)14(16)8-12/h6-11,17H,5H2,1-4H3
InChIKeyLZFNRFSNIJTTFW-UHFFFAOYSA-N
MW274.24 g/mol
LogP5.08
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine

N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine (PubChem CID 43102306) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
PubChem CID43102306
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-5-9(2)10(3)17-11(4)12-6-7-13(15)14(16)8-12/h6-11,17H,5H2,1-4H3
InChIKeyLZFNRFSNIJTTFW-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785111
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine (CID 43102306) is N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine is CCC(C)C(C)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine?
The InChIKey is LZFNRFSNIJTTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-5-9(2)10(3)17-11(4)12-6-7-13(15)14(16)8-12/h6-11,17H,5H2,1-4H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine?
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine has a molecular weight of 274.24 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine is sourced from PubChem (CID 43102306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).