1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine

C14H24N2O — CID 115199383

IUPAC1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
SMILESCOc1ccc(CN(C)CCC(C)N)cc1C
InChIInChI=1S/C14H24N2O/c1-11-9-13(5-6-14(11)17-4)10-16(3)8-7-12(2)15/h5-6,9,12H,7-8,10,15H2,1-4H3
InChIKeyMBMQGBSASPRTMU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds6

About 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine

1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine (PubChem CID 115199383) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
PubChem CID115199383
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
SMILESCOc1ccc(CN(C)CCC(C)N)cc1C
InChIInChI=1S/C14H24N2O/c1-11-9-13(5-6-14(11)17-4)10-16(3)8-7-12(2)15/h5-6,9,12H,7-8,10,15H2,1-4H3
InChIKeyMBMQGBSASPRTMU-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
1-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199401
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
2-methoxy-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61425653
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115199467
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine (CID 115199383) is 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine is COc1ccc(CN(C)CCC(C)N)cc1C.
What is the InChIKey of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is MBMQGBSASPRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-9-13(5-6-14(11)17-4)10-16(3)8-7-12(2)15/h5-6,9,12H,7-8,10,15H2,1-4H3.
What are the key properties of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine?
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 115199383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).