N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine

C19H25NO — CID 105406594

IUPACN-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25NO/c1-5-20-13-16-7-6-15(4)19(12-16)21-18-10-8-17(9-11-18)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyLBAPFYSDKZUYQI-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.02
Rot. Bonds6

About N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine

N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine (PubChem CID 105406594) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
PubChem CID105406594
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25NO/c1-5-20-13-16-7-6-15(4)19(12-16)21-18-10-8-17(9-11-18)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyLBAPFYSDKZUYQI-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
N-[[2-(2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62323489
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-[[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 66481816
N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
CID 105407260
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[4-(2-methyl-5-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031171

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine (CID 105406594) is N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(C)c(Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is LBAPFYSDKZUYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-20-13-16-7-6-15(4)19(12-16)21-18-10-8-17(9-11-18)14(2)3/h6-12,14,20H,5,13H2,1-4H3.
What are the key properties of N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 105406594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).