(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine

C14H23NO — CID 107891054

IUPAC(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1cc(C)ccc1[C@H](C)N
InChIInChI=1S/C14H23NO/c1-5-6-11(3)16-14-9-10(2)7-8-13(14)12(4)15/h7-9,11-12H,5-6,15H2,1-4H3/t11?,12-/m0/s1
InChIKeyYMFZJBIWVLPCPA-KIYNQFGBSA-N
MW221.34 g/mol
LogP3.58
Rot. Bonds5

About (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine

(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine (PubChem CID 107891054) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
PubChem CID107891054
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1cc(C)ccc1[C@H](C)N
InChIInChI=1S/C14H23NO/c1-5-6-11(3)16-14-9-10(2)7-8-13(14)12(4)15/h7-9,11-12H,5-6,15H2,1-4H3/t11?,12-/m0/s1
InChIKeyYMFZJBIWVLPCPA-KIYNQFGBSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-pentan-2-yloxyaniline
CID 102980406
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
4-methyl-2-pentan-2-yloxybenzonitrile
CID 102981671
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]butanamide
CID 78947140
2-[2-(1-aminoethyl)-5-methylphenoxy]butanamide
CID 63640445
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine (CID 107891054) is (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine is CCCC(C)Oc1cc(C)ccc1[C@H](C)N.
What is the InChIKey of (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine?
The InChIKey is YMFZJBIWVLPCPA-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-11(3)16-14-9-10(2)7-8-13(14)12(4)15/h7-9,11-12H,5-6,15H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine?
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107891054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).