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

C15H25NO — CID 81397104

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CN[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-8-12(2)11-16-13(3)14-9-6-7-10-15(14)17-4/h6-7,9-10,12-13,16H,5,8,11H2,1-4H3/t12?,13-/m0/s1
InChIKeyDOWRDMPXQXQIIM-ABLWVSNPSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds7

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

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine (PubChem CID 81397104) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
PubChem CID81397104
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CN[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-8-12(2)11-16-13(3)14-9-6-7-10-15(14)17-4/h6-7,9-10,12-13,16H,5,8,11H2,1-4H3/t12?,13-/m0/s1
InChIKeyDOWRDMPXQXQIIM-ABLWVSNPSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107440
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
CID 81387454
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine (CID 81397104) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine is CCCC(C)CN[C@@H](C)c1ccccc1OC.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine?
The InChIKey is DOWRDMPXQXQIIM-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-8-12(2)11-16-13(3)14-9-6-7-10-15(14)17-4/h6-7,9-10,12-13,16H,5,8,11H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine is sourced from PubChem (CID 81397104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).