N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine

C15H24ClN — CID 156848929

IUPACN-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCN(CCc1cccc(Cl)c1)CCC(C)C
InChIInChI=1S/C15H24ClN/c1-4-17(10-8-13(2)3)11-9-14-6-5-7-15(16)12-14/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyMQPYIVCVHBPZDC-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine

N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine (PubChem CID 156848929) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine
PubChem CID156848929
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine
SMILESCCN(CCc1cccc(Cl)c1)CCC(C)C
InChIInChI=1S/C15H24ClN/c1-4-17(10-8-13(2)3)11-9-14-6-5-7-15(16)12-14/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyMQPYIVCVHBPZDC-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(3-chlorophenyl)methyl-ethylamino]ethanol
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3-[2-(3-chlorophenyl)ethyl-methylamino]-2-methylpropanoic acid
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1-[2-(3-chlorophenyl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
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1,3-bis(3-methylbutyl)benzene;ethane
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1-chloro-3-(3-phenylbutyl)benzene
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N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine (CID 156848929) is N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine is CCN(CCc1cccc(Cl)c1)CCC(C)C.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is MQPYIVCVHBPZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-4-17(10-8-13(2)3)11-9-14-6-5-7-15(16)12-14/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine?
N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 156848929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).