N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine

C15H25NO — CID 126843908

IUPACN-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cccc(CCNC(C)C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-12(15(2,3)4)16-10-9-13-7-6-8-14(11-13)17-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyFPCLFUGMEQRLEB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine

N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine (PubChem CID 126843908) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
PubChem CID126843908
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cccc(CCNC(C)C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-12(15(2,3)4)16-10-9-13-7-6-8-14(11-13)17-5/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyFPCLFUGMEQRLEB-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 107852150
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 108900910
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine (CID 126843908) is N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine is COc1cccc(CCNC(C)C(C)(C)C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine?
The InChIKey is FPCLFUGMEQRLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(15(2,3)4)16-10-9-13-7-6-8-14(11-13)17-5/h6-8,11-12,16H,9-10H2,1-5H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine?
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 126843908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).