N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine

C15H25NO — CID 43766762

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccccc1OC)C(C)C
InChIInChI=1S/C15H25NO/c1-6-14(11(2)3)16-12(4)13-9-7-8-10-15(13)17-5/h7-12,14,16H,6H2,1-5H3
InChIKeyNHSQNNLSIDXROQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine

N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 43766762) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
PubChem CID43766762
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccccc1OC)C(C)C
InChIInChI=1S/C15H25NO/c1-6-14(11(2)3)16-12(4)13-9-7-8-10-15(13)17-5/h7-12,14,16H,6H2,1-5H3
InChIKeyNHSQNNLSIDXROQ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
CID 103271705
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine (CID 43766762) is N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccccc1OC)C(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is NHSQNNLSIDXROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-14(11(2)3)16-12(4)13-9-7-8-10-15(13)17-5/h7-12,14,16H,6H2,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43766762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).