1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine

C15H26N2O — CID 116905197

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C(CCCN)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-11-9-13(10-12(2)15(11)18-5)14(17(3)4)7-6-8-16/h9-10,14H,6-8,16H2,1-5H3
InChIKeyULDOQFRBSCBEPQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds6

About 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine

1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine (PubChem CID 116905197) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
PubChem CID116905197
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
SMILESCOc1c(C)cc(C(CCCN)N(C)C)cc1C
InChIInChI=1S/C15H26N2O/c1-11-9-13(10-12(2)15(11)18-5)14(17(3)4)7-6-8-16/h9-10,14H,6-8,16H2,1-5H3
InChIKeyULDOQFRBSCBEPQ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
CID 116915289
N,N-dimethyl-1-(4-propan-2-ylphenyl)butane-1,4-diamine
CID 112501179
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine (CID 116905197) is 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine is COc1c(C)cc(C(CCCN)N(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine?
The InChIKey is ULDOQFRBSCBEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-9-13(10-12(2)15(11)18-5)14(17(3)4)7-6-8-16/h9-10,14H,6-8,16H2,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine?
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116905197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).