(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine

C17H21NO — CID 103959252

IUPAC(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H21NO/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-9-12(2)13(3)11-14/h5-11,16H,4,18H2,1-3H3/t16-/m0/s1
InChIKeyAQDBBPZMIYFTKV-INIZCTEOSA-N
MW255.36 g/mol
LogP4.51
Rot. Bonds4

About (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine

(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine (PubChem CID 103959252) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
PubChem CID103959252
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H21NO/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-9-12(2)13(3)11-14/h5-11,16H,4,18H2,1-3H3/t16-/m0/s1
InChIKeyAQDBBPZMIYFTKV-INIZCTEOSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
CID 103959354
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine (CID 103959252) is (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1Oc1ccc(C)c(C)c1.
What is the InChIKey of (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine?
The InChIKey is AQDBBPZMIYFTKV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-9-12(2)13(3)11-14/h5-11,16H,4,18H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine?
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).