(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine

C18H23NO — CID 103959280

IUPAC(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H23NO/c1-5-16(19)15-8-6-7-9-17(15)20-18-11-12(2)10-13(3)14(18)4/h6-11,16H,5,19H2,1-4H3/t16-/m0/s1
InChIKeyGHQHKBZHRMFWTA-INIZCTEOSA-N
MW269.39 g/mol
LogP4.81
Rot. Bonds4

About (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine

(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine (PubChem CID 103959280) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
PubChem CID103959280
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1cc(C)cc(C)c1C
InChIInChI=1S/C18H23NO/c1-5-16(19)15-8-6-7-9-17(15)20-18-11-12(2)10-13(3)14(18)4/h6-11,16H,5,19H2,1-4H3/t16-/m0/s1
InChIKeyGHQHKBZHRMFWTA-INIZCTEOSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
CID 103960528
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
CID 112678472
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
CID 63501481
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine (CID 103959280) is (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1Oc1cc(C)cc(C)c1C.
What is the InChIKey of (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine?
The InChIKey is GHQHKBZHRMFWTA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-16(19)15-8-6-7-9-17(15)20-18-11-12(2)10-13(3)14(18)4/h6-11,16H,5,19H2,1-4H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine?
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).