N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine

C15H25NO — CID 43485559

IUPACN,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCCC(C)C(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-6-12(4)15(16-5)13-7-9-14(10-8-13)17-11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyFPENQMIYCGUAPP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds6

About N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine

N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 43485559) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID43485559
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCCC(C)C(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-6-12(4)15(16-5)13-7-9-14(10-8-13)17-11(2)3/h7-12,15-16H,6H2,1-5H3
InChIKeyFPENQMIYCGUAPP-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-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,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
2-methoxy-N-methyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 79616330
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
3-amino-4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 116957906
2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63981433
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine (CID 43485559) is N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine is CCC(C)C(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is FPENQMIYCGUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-12(4)15(16-5)13-7-9-14(10-8-13)17-11(2)3/h7-12,15-16H,6H2,1-5H3.
What are the key properties of N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 43485559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).