(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine

C19H25NO — CID 28537427

IUPAC(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
SMILESCCC(C)(C)c1ccc(Oc2ccc([C@H](C)N)cc2)cc1
InChIInChI=1S/C19H25NO/c1-5-19(3,4)16-8-12-18(13-9-16)21-17-10-6-15(7-11-17)14(2)20/h6-14H,5,20H2,1-4H3/t14-/m0/s1
InChIKeyAGDSNTAEPQYQPD-AWEZNQCLSA-N
MW283.42 g/mol
LogP5.19
Rot. Bonds5

About (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine

(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine (PubChem CID 28537427) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
PubChem CID28537427
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
SMILESCCC(C)(C)c1ccc(Oc2ccc([C@H](C)N)cc2)cc1
InChIInChI=1S/C19H25NO/c1-5-19(3,4)16-8-12-18(13-9-16)21-17-10-6-15(7-11-17)14(2)20/h6-14H,5,20H2,1-4H3/t14-/m0/s1
InChIKeyAGDSNTAEPQYQPD-AWEZNQCLSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
2,4-bis[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 20504800
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249
2-chloro-4-[4-(2-methylbutan-2-yl)phenoxy]aniline
CID 106701502
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine (CID 28537427) is (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine is CCC(C)(C)c1ccc(Oc2ccc([C@H](C)N)cc2)cc1.
What is the InChIKey of (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine?
The InChIKey is AGDSNTAEPQYQPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-19(3,4)16-8-12-18(13-9-16)21-17-10-6-15(7-11-17)14(2)20/h6-14H,5,20H2,1-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine?
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine is sourced from PubChem (CID 28537427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).