4-butoxy-N-butylaniline

C14H23NO — CID 15112153

IUPAC4-butoxy-N-butylaniline
SMILESCCCCNc1ccc(OCCCC)cc1
InChIInChI=1S/C14H23NO/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyPGSRMAFMJAJUJV-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.08
Rot. Bonds8

About 4-butoxy-N-butylaniline

4-butoxy-N-butylaniline (PubChem CID 15112153) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-butoxy-N-butylaniline.

Molecular Properties

Compound Name4-butoxy-N-butylaniline
PubChem CID15112153
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-butoxy-N-butylaniline
SMILESCCCCNc1ccc(OCCCC)cc1
InChIInChI=1S/C14H23NO/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyPGSRMAFMJAJUJV-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
4-butoxy-N-[2-(4-tert-butylphenoxy)ethyl]aniline
CID 54799238
N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809763
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
N-butyl-4-phenoxyaniline
CID 4712110
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-butylaniline?
The IUPAC name of 4-butoxy-N-butylaniline (CID 15112153) is 4-butoxy-N-butylaniline.
What is the SMILES notation for 4-butoxy-N-butylaniline?
The canonical SMILES for 4-butoxy-N-butylaniline is CCCCNc1ccc(OCCCC)cc1.
What is the InChIKey of 4-butoxy-N-butylaniline?
The InChIKey is PGSRMAFMJAJUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of 4-butoxy-N-butylaniline?
4-butoxy-N-butylaniline has a molecular weight of 221.34 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-butylaniline is sourced from PubChem (CID 15112153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).