1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine

C19H26N2O2 — CID 141467393

IUPAC1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
SMILESCOc1ccc(CC(C)C(N)C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H26N2O2/c1-13(12-14-4-8-16(22-2)9-5-14)18(20)19(21)15-6-10-17(23-3)11-7-15/h4-11,13,18-19H,12,20-21H2,1-3H3
InChIKeyXFIGDDYCLAZBLI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.91
Rot. Bonds7

About 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine

1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine (PubChem CID 141467393) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
PubChem CID141467393
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
SMILESCOc1ccc(CC(C)C(N)C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H26N2O2/c1-13(12-14-4-8-16(22-2)9-5-14)18(20)19(21)15-6-10-17(23-3)11-7-15/h4-11,13,18-19H,12,20-21H2,1-3H3
InChIKeyXFIGDDYCLAZBLI-UHFFFAOYSA-N
XLogP2.91
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
(1S,2R)-1-(4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 163535290
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine (CID 141467393) is 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine is COc1ccc(CC(C)C(N)C(N)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
The InChIKey is XFIGDDYCLAZBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(12-14-4-8-16(22-2)9-5-14)18(20)19(21)15-6-10-17(23-3)11-7-15/h4-11,13,18-19H,12,20-21H2,1-3H3.
What are the key properties of 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 141467393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).