N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline

C19H34N2O — CID 84750591

IUPACN-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
SMILESCCCCN(C)c1ccc(CNCC(C)C)cc1OC(C)C
InChIInChI=1S/C19H34N2O/c1-7-8-11-21(6)18-10-9-17(14-20-13-15(2)3)12-19(18)22-16(4)5/h9-10,12,15-16,20H,7-8,11,13-14H2,1-6H3
InChIKeyJMBYTZGYAMEWLV-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.46
Rot. Bonds10

About N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline

N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline (PubChem CID 84750591) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
PubChem CID84750591
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
SMILESCCCCN(C)c1ccc(CNCC(C)C)cc1OC(C)C
InChIInChI=1S/C19H34N2O/c1-7-8-11-21(6)18-10-9-17(14-20-13-15(2)3)12-19(18)22-16(4)5/h9-10,12,15-16,20H,7-8,11,13-14H2,1-6H3
InChIKeyJMBYTZGYAMEWLV-UHFFFAOYSA-N
XLogP4.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[butyl(methyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750589
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
3-[N-methyl-2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]anilino]propanoic acid
CID 84750659
4-[(propan-2-ylamino)methyl]-2-propan-2-yloxy-N,N-dipropylaniline
CID 84750211
2-[N-ethyl-4-(ethylaminomethyl)-2-propan-2-yloxyanilino]ethanol
CID 84750416
N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
CID 84746234
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline (CID 84750591) is N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline is CCCCN(C)c1ccc(CNCC(C)C)cc1OC(C)C.
What is the InChIKey of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline?
The InChIKey is JMBYTZGYAMEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-7-8-11-21(6)18-10-9-17(14-20-13-15(2)3)12-19(18)22-16(4)5/h9-10,12,15-16,20H,7-8,11,13-14H2,1-6H3.
What are the key properties of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline?
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline has a molecular weight of 306.49 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 84750591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).