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

C15H26N2O — CID 117040350

IUPAC3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(CN(C)C(C)CCN)cc1C
InChIInChI=1S/C15H26N2O/c1-11-9-15(18-5)12(2)8-14(11)10-17(4)13(3)6-7-16/h8-9,13H,6-7,10,16H2,1-5H3
InChIKeyDRAVFTCUDZRNTM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds6

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

3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine (PubChem CID 117040350) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
PubChem CID117040350
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(CN(C)C(C)CCN)cc1C
InChIInChI=1S/C15H26N2O/c1-11-9-15(18-5)12(2)8-14(11)10-17(4)13(3)6-7-16/h8-9,13H,6-7,10,16H2,1-5H3
InChIKeyDRAVFTCUDZRNTM-UHFFFAOYSA-N
XLogP2.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
CID 117040233
3-N-methyl-3-N-[(2,3,4-trimethylphenyl)methyl]butane-1,3-diamine
CID 117040414
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
2-N,3-dimethyl-2-N-[(2,4,5-trimethylphenyl)methyl]butane-1,2-diamine
CID 115138216
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040436
1-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199401
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115219485

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine (CID 117040350) is 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine is COc1cc(C)c(CN(C)C(C)CCN)cc1C.
What is the InChIKey of 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is DRAVFTCUDZRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-9-15(18-5)12(2)8-14(11)10-17(4)13(3)6-7-16/h8-9,13H,6-7,10,16H2,1-5H3.
What are the key properties of 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine?
3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 117040350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).