N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine

C15H25NO — CID 81370732

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-6-11(2)12(3)16-13(4)14-7-9-15(17-5)10-8-14/h7-13,16H,6H2,1-5H3/t11?,12?,13-/m0/s1
InChIKeyKBODXTVGCPDTNG-BPCQOVAHSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine (PubChem CID 81370732) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
PubChem CID81370732
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)N[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO/c1-6-11(2)12(3)16-13(4)14-7-9-15(17-5)10-8-14/h7-13,16H,6H2,1-5H3/t11?,12?,13-/m0/s1
InChIKeyKBODXTVGCPDTNG-BPCQOVAHSA-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

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine (CID 81370732) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine is CCC(C)C(C)N[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine?
The InChIKey is KBODXTVGCPDTNG-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-11(2)12(3)16-13(4)14-7-9-15(17-5)10-8-14/h7-13,16H,6H2,1-5H3/t11?,12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-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-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine is sourced from PubChem (CID 81370732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).