N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine

C19H25NO — CID 105406580

IUPACN-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2cc(CNC(C)C)ccc2C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13(2)20-12-17-8-7-15(4)19(11-17)21-18-9-6-14(3)10-16(18)5/h6-11,13,20H,12H2,1-5H3
InChIKeyNBCZWPDZKYECTM-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.90
Rot. Bonds5

About N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105406580) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105406580
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2cc(CNC(C)C)ccc2C)c(C)c1
InChIInChI=1S/C19H25NO/c1-13(2)20-12-17-8-7-15(4)19(11-17)21-18-9-6-14(3)10-16(18)5/h6-11,13,20H,12H2,1-5H3
InChIKeyNBCZWPDZKYECTM-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547
N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407067
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
CID 105407428
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine (CID 105406580) is N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine is Cc1ccc(Oc2cc(CNC(C)C)ccc2C)c(C)c1.
What is the InChIKey of N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is NBCZWPDZKYECTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)20-12-17-8-7-15(4)19(11-17)21-18-9-6-14(3)10-16(18)5/h6-11,13,20H,12H2,1-5H3.
What are the key properties of N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105406580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).