N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine

C16H28N2O — CID 115202568

IUPACN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
SMILESCOc1c(C)cc(CNCC(C)CCN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11(6-7-17)9-18-10-15-8-12(2)16(19-5)14(4)13(15)3/h8,11,18H,6-7,9-10,17H2,1-5H3
InChIKeyYWLOYMQDTAQQKT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds7

About N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine (PubChem CID 115202568) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
PubChem CID115202568
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
SMILESCOc1c(C)cc(CNCC(C)CCN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11(6-7-17)9-18-10-15-8-12(2)16(19-5)14(4)13(15)3/h8,11,18H,6-7,9-10,17H2,1-5H3
InChIKeyYWLOYMQDTAQQKT-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-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-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202575
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
2-methyl-N-[(4-methylthiophen-3-yl)methyl]butane-1,4-diamine
CID 80544239
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
N-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202326
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine?
The IUPAC name of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine (CID 115202568) is N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine?
The canonical SMILES for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine is COc1c(C)cc(CNCC(C)CCN)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine?
The InChIKey is YWLOYMQDTAQQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(6-7-17)9-18-10-15-8-12(2)16(19-5)14(4)13(15)3/h8,11,18H,6-7,9-10,17H2,1-5H3.
What are the key properties of N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine?
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine is sourced from PubChem (CID 115202568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).