1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine

C19H25NO — CID 63501481

IUPAC1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NO/c1-5-18(20)16-8-6-7-9-19(16)21-12-17-14(3)10-13(2)11-15(17)4/h6-11,18H,5,12,20H2,1-4H3
InChIKeyPCBVDRYQDMLQGC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.60
Rot. Bonds5

About 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine

1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 63501481) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
PubChem CID63501481
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OCc1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NO/c1-5-18(20)16-8-6-7-9-19(16)21-12-17-14(3)10-13(2)11-15(17)4/h6-11,18H,5,12,20H2,1-4H3
InChIKeyPCBVDRYQDMLQGC-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
CID 78931588
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
1-[2-(2-methylphenoxy)phenyl]propan-1-amine
CID 112678413
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine (CID 63501481) is 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccccc1OCc1c(C)cc(C)cc1C.
What is the InChIKey of 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is PCBVDRYQDMLQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-18(20)16-8-6-7-9-19(16)21-12-17-14(3)10-13(2)11-15(17)4/h6-11,18H,5,12,20H2,1-4H3.
What are the key properties of 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine?
1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 63501481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).