2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine

C17H21NO — CID 105350241

IUPAC2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
SMILESCc1ccc(OCc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13-3-9-17(10-4-13)19-12-15-5-7-16(8-6-15)14(2)11-18/h3-10,14H,11-12,18H2,1-2H3
InChIKeyKWQDXHBNNRXSAR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine

2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine (PubChem CID 105350241) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
PubChem CID105350241
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
SMILESCc1ccc(OCc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C17H21NO/c1-13-3-9-17(10-4-13)19-12-15-5-7-16(8-6-15)14(2)11-18/h3-10,14H,11-12,18H2,1-2H3
InChIKeyKWQDXHBNNRXSAR-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
4-[(4-methylphenyl)methoxy]-N-propan-2-ylaniline
CID 155469533
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine (CID 105350241) is 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine is Cc1ccc(OCc2ccc(C(C)CN)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine?
The InChIKey is KWQDXHBNNRXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-3-9-17(10-4-13)19-12-15-5-7-16(8-6-15)14(2)11-18/h3-10,14H,11-12,18H2,1-2H3.
What are the key properties of 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine?
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105350241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).