1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine

C25H37NO2 — CID 54803640

IUPAC1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccc(OCCC(C)C)cc1OCCC(C)C
InChIInChI=1S/C25H37NO2/c1-19(2)12-14-27-24-11-10-23(25(16-24)28-15-13-20(3)4)18-26-17-22-9-7-6-8-21(22)5/h6-11,16,19-20,26H,12-15,17-18H2,1-5H3
InChIKeyUFHCCJINOSBXQS-UHFFFAOYSA-N
MW383.58 g/mol
LogP6.13
Rot. Bonds12

About 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine

1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 54803640) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
PubChem CID54803640
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1ccc(OCCC(C)C)cc1OCCC(C)C
InChIInChI=1S/C25H37NO2/c1-19(2)12-14-27-24-11-10-23(25(16-24)28-15-13-20(3)4)18-26-17-22-9-7-6-8-21(22)5/h6-11,16,19-20,26H,12-15,17-18H2,1-5H3
InChIKeyUFHCCJINOSBXQS-UHFFFAOYSA-N
XLogP6.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807495
N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine
CID 54807638
1-[4-(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]ethanamine
CID 54803695
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
3-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800929
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
N-[(2,4-dihexoxyphenyl)methyl]-1-phenylmethanamine
CID 54804143
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
1-[3-(2-methoxyethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803561

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine (CID 54803640) is 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNCc1ccc(OCCC(C)C)cc1OCCC(C)C.
What is the InChIKey of 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is UFHCCJINOSBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-19(2)12-14-27-24-11-10-23(25(16-24)28-15-13-20(3)4)18-26-17-22-9-7-6-8-21(22)5/h6-11,16,19-20,26H,12-15,17-18H2,1-5H3.
What are the key properties of 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine?
1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 383.58 g/mol, XLogP of 6.13, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 54803640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).