N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

C18H32N2O — CID 62260451

IUPACN-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-17(2,3)19-13-18(4,5)14-20(6)12-15-8-10-16(21-7)11-9-15/h8-11,19H,12-14H2,1-7H3
InChIKeySZYXYCMSWDDWNU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.54
Rot. Bonds7

About N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 62260451) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID62260451
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-17(2,3)19-13-18(4,5)14-20(6)12-15-8-10-16(21-7)11-9-15/h8-11,19H,12-14H2,1-7H3
InChIKeySZYXYCMSWDDWNU-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine 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-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
2-(tert-butylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112727502
2-(bromomethyl)-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 65003826
N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
1,1-dideuterio-N,N-bis[(4-methoxyphenyl)methyl]methanamine
CID 166042056
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N',2,2-trimethyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79652388

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (CID 62260451) is N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is COc1ccc(CN(C)CC(C)(C)CNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is SZYXYCMSWDDWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2,3)19-13-18(4,5)14-20(6)12-15-8-10-16(21-7)11-9-15/h8-11,19H,12-14H2,1-7H3.
What are the key properties of N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62260451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).