(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine

C17H21NO2 — CID 78932859

IUPAC(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1ccc(OC)cc1
InChIInChI=1S/C17H21NO2/c1-3-16(18)15-6-4-5-7-17(15)20-12-13-8-10-14(19-2)11-9-13/h4-11,16H,3,12,18H2,1-2H3/t16-/m0/s1
InChIKeyRTTATLHNGZPVFS-INIZCTEOSA-N
MW271.36 g/mol
LogP3.68
Rot. Bonds6

About (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine

(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 78932859) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
PubChem CID78932859
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1ccc(OC)cc1
InChIInChI=1S/C17H21NO2/c1-3-16(18)15-6-4-5-7-17(15)20-12-13-8-10-14(19-2)11-9-13/h4-11,16H,3,12,18H2,1-2H3/t16-/m0/s1
InChIKeyRTTATLHNGZPVFS-INIZCTEOSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene
CID 168831810
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine (CID 78932859) is (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCc1ccc(OC)cc1.
What is the InChIKey of (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is RTTATLHNGZPVFS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-16(18)15-6-4-5-7-17(15)20-12-13-8-10-14(19-2)11-9-13/h4-11,16H,3,12,18H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine?
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 78932859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).