N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine

C16H27NO — CID 105349506

IUPACN-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
SMILESCC(C)NCC(C)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)17-10-14(5)16-8-6-15(7-9-16)11-18-13(3)4/h6-9,12-14,17H,10-11H2,1-5H3
InChIKeyWWNWTINPLGKSNE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds7

About N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine

N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine (PubChem CID 105349506) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
PubChem CID105349506
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
SMILESCC(C)NCC(C)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(2)17-10-14(5)16-8-6-15(7-9-16)11-18-13(3)4/h6-9,12-14,17H,10-11H2,1-5H3
InChIKeyWWNWTINPLGKSNE-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-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-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351077
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105348064
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine (CID 105349506) is N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine is CC(C)NCC(C)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine?
The InChIKey is WWNWTINPLGKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)17-10-14(5)16-8-6-15(7-9-16)11-18-13(3)4/h6-9,12-14,17H,10-11H2,1-5H3.
What are the key properties of N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine?
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105349506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).