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

C14H23NO — CID 81370465

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-5-11(2)10-15-12(3)13-6-8-14(16-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3/t11?,12-/m0/s1
InChIKeyUTAKQNHDKRCJOJ-KIYNQFGBSA-N
MW221.34 g/mol
LogP3.39
Rot. Bonds6

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine (PubChem CID 81370465) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
PubChem CID81370465
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-5-11(2)10-15-12(3)13-6-8-14(16-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3/t11?,12-/m0/s1
InChIKeyUTAKQNHDKRCJOJ-KIYNQFGBSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine (CID 81370465) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine is CCC(C)CN[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
The InChIKey is UTAKQNHDKRCJOJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(2)10-15-12(3)13-6-8-14(16-4)9-7-13/h6-9,11-12,15H,5,10H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.39, 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]-2-methylbutan-1-amine is sourced from PubChem (CID 81370465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).