4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline

C31H52N2O2 — CID 161278996

IUPAC4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
SMILESCCOc1ccc(N(CC(C)C)CC(C)C)cc1.COc1ccc(N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C16H27NO.C15H25NO/c1-6-18-16-9-7-15(8-10-16)17(11-13(2)3)12-14(4)5;1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h7-10,13-14H,6,11-12H2,1-5H3;6-9,12-13H,10-11H2,1-5H3
InChIKeyVEVCQMXZKYNOAL-UHFFFAOYSA-N
MW484.77 g/mol
LogP8.02
Rot. Bonds13

About 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline

4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline (PubChem CID 161278996) has the molecular formula C31H52N2O2 and a molecular weight of 484.77 g/mol. Its IUPAC name is 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
PubChem CID161278996
Molecular FormulaC31H52N2O2
Molecular Weight484.77 g/mol
Exact Mass484.40
IUPAC Name4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
SMILESCCOc1ccc(N(CC(C)C)CC(C)C)cc1.COc1ccc(N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C16H27NO.C15H25NO/c1-6-18-16-9-7-15(8-10-16)17(11-13(2)3)12-14(4)5;1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h7-10,13-14H,6,11-12H2,1-5H3;6-9,12-13H,10-11H2,1-5H3
InChIKeyVEVCQMXZKYNOAL-UHFFFAOYSA-N
XLogP8.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.77
LogP ≤ 58.02
H-Bond Donors ≤ 50
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

4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
CID 154621156
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 154621249
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
4-ethoxy-N,N-bis(2-ethylhexyl)aniline
CID 59373143
4-ethoxy-N,N-dimethylaniline
CID 3624890
[4-[2-(4-methoxyphenyl)ethynyl]-N-(sulfanylmethyl)anilino]methanethiol
CID 102083327
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-methoxy-N,N-bis(methoxymethyl)aniline
CID 89468483
1-butoxy-3-(N-(3-butoxy-2-hydroxypropyl)-4-methoxyanilino)propan-2-ol
CID 162141562
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline?
The IUPAC name of 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline (CID 161278996) is 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline.
What is the SMILES notation for 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline?
The canonical SMILES for 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline is CCOc1ccc(N(CC(C)C)CC(C)C)cc1.COc1ccc(N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline?
The InChIKey is VEVCQMXZKYNOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C15H25NO/c1-6-18-16-9-7-15(8-10-16)17(11-13(2)3)12-14(4)5;1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h7-10,13-14H,6,11-12H2,1-5H3;6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline?
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline has a molecular weight of 484.77 g/mol, XLogP of 8.02, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline is sourced from PubChem (CID 161278996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).