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

C19H26N2O2 — CID 68527948

IUPAC1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
SMILESCOc1ccc(NCC(Nc2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)19(21-16-7-11-18(23-4)12-8-16)13-20-15-5-9-17(22-3)10-6-15/h5-12,14,19-21H,13H2,1-4H3
InChIKeyQPEYFVICRPTJBH-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.25
Rot. Bonds8

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

1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine (PubChem CID 68527948) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
PubChem CID68527948
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
SMILESCOc1ccc(NCC(Nc2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)19(21-16-7-11-18(23-4)12-8-16)13-20-15-5-9-17(22-3)10-6-15/h5-12,14,19-21H,13H2,1-4H3
InChIKeyQPEYFVICRPTJBH-UHFFFAOYSA-N
XLogP4.25
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041
N-[(2S)-2-(2-fluorophenyl)propyl]-4-methoxyaniline
CID 135056223
N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 102526815
2-(4-methoxyanilino)-3,5-dimethylhexan-1-ol
CID 114201074
[(2S)-1-(4-methoxyanilino)propan-2-yl]carbamic acid
CID 141107988
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
N-(difluoromethyl)-4-methoxyaniline
CID 118609343
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-ethyl-4-methoxyaniline;molecular hydrogen
CID 142256400
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine (CID 68527948) is 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine is COc1ccc(NCC(Nc2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
The InChIKey is QPEYFVICRPTJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)19(21-16-7-11-18(23-4)12-8-16)13-20-15-5-9-17(22-3)10-6-15/h5-12,14,19-21H,13H2,1-4H3.
What are the key properties of 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine?
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine has a molecular weight of 314.43 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 68527948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).