N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline

C19H25NO — CID 70632750

IUPACN-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
SMILESCCCCN(c1ccccc1)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-4-5-15-20(18-9-7-6-8-10-18)17(3)21-19-13-11-16(2)12-14-19/h6-14,17H,4-5,15H2,1-3H3
InChIKeyDTMHSWBAKZTDNS-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.03
Rot. Bonds7

About N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline

N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline (PubChem CID 70632750) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
PubChem CID70632750
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
SMILESCCCCN(c1ccccc1)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-4-5-15-20(18-9-7-6-8-10-18)17(3)21-19-13-11-16(2)12-14-19/h6-14,17H,4-5,15H2,1-3H3
InChIKeyDTMHSWBAKZTDNS-UHFFFAOYSA-N
XLogP5.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline
CID 70632981
N-butyl-N-[1-(2-propan-2-ylphenoxy)ethyl]aniline
CID 70632939
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
N-hexan-2-yl-N-propylaniline
CID 54357467
2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
CID 116501784
N-[1-(4-chloro-3-methylphenoxy)ethyl]-N-ethylaniline
CID 70632882
N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline
CID 70632889
N-ethyl-N-[1-(3-methyl-4-methylsulfanylphenoxy)ethyl]aniline
CID 21407430
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline (CID 70632750) is N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline is CCCCN(c1ccccc1)C(C)Oc1ccc(C)cc1.
What is the InChIKey of N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline?
The InChIKey is DTMHSWBAKZTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-15-20(18-9-7-6-8-10-18)17(3)21-19-13-11-16(2)12-14-19/h6-14,17H,4-5,15H2,1-3H3.
What are the key properties of N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline?
N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 70632750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).