N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

C19H31NO — CID 79424138

IUPACN-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccccc1C(CCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C19H31NO/c1-15-8-5-6-10-18(15)16(14-20-19(2,3)4)11-12-17-9-7-13-21-17/h5-6,8,10,16-17,20H,7,9,11-14H2,1-4H3
InChIKeyVSWJRSMPJYHOEH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.43
Rot. Bonds6

About N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 79424138) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID79424138
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccccc1C(CCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C19H31NO/c1-15-8-5-6-10-18(15)16(14-20-19(2,3)4)11-12-17-9-7-13-21-17/h5-6,8,10,16-17,20H,7,9,11-14H2,1-4H3
InChIKeyVSWJRSMPJYHOEH-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)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

2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
CID 65431740
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
CID 79420861
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 79424138) is N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is Cc1ccccc1C(CCC1CCCO1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is VSWJRSMPJYHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-8-5-6-10-18(15)16(14-20-19(2,3)4)11-12-17-9-7-13-21-17/h5-6,8,10,16-17,20H,7,9,11-14H2,1-4H3.
What are the key properties of N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 79424138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).