2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine

C18H31NO — CID 105349742

IUPAC2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COC(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-6-12-19-13-15(3)17-10-8-16(9-11-17)14-20-18(4,5)7-2/h8-11,15,19H,6-7,12-14H2,1-5H3
InChIKeyPYVJGDJTTWTMDV-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.49
Rot. Bonds9

About 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine

2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 105349742) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
PubChem CID105349742
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COC(C)(C)CC)cc1
InChIInChI=1S/C18H31NO/c1-6-12-19-13-15(3)17-10-8-16(9-11-17)14-20-18(4,5)7-2/h8-11,15,19H,6-7,12-14H2,1-5H3
InChIKeyPYVJGDJTTWTMDV-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
(2S)-2-(4-nitrophenyl)-N-propylpropan-1-amine
CID 118149789
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine (CID 105349742) is 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(COC(C)(C)CC)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is PYVJGDJTTWTMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-12-19-13-15(3)17-10-8-16(9-11-17)14-20-18(4,5)7-2/h8-11,15,19H,6-7,12-14H2,1-5H3.
What are the key properties of 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105349742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).