N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine

C15H24ClNO — CID 113434200

IUPACN-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-12(13-5-7-14(16)8-6-13)17-11-15(2,3)9-10-18-4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQERSGHMVKZUWII-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.05
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 113434200) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID113434200
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-12(13-5-7-14(16)8-6-13)17-11-15(2,3)9-10-18-4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyQERSGHMVKZUWII-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489698
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628810
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628826
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxybutan-2-amine
CID 81356589
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 113434200) is N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is QERSGHMVKZUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(13-5-7-14(16)8-6-13)17-11-15(2,3)9-10-18-4/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 113434200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).