N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine

C18H31NO2 — CID 5262106

IUPACN-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-4-6-13-19(14-7-5-2)15-10-16-21-18-12-9-8-11-17(18)20-3/h8-9,11-12H,4-7,10,13-16H2,1-3H3
InChIKeyNAXHIWKYESNFJK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.37
Rot. Bonds12

About N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine

N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine (PubChem CID 5262106) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
PubChem CID5262106
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccccc1OC
InChIInChI=1S/C18H31NO2/c1-4-6-13-19(14-7-5-2)15-10-16-21-18-12-9-8-11-17(18)20-3/h8-9,11-12H,4-7,10,13-16H2,1-3H3
InChIKeyNAXHIWKYESNFJK-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-methoxy-2-oct-3-ynoxybenzene
CID 141209908
N-[3-[2-(benzenesulfonyl)phenoxy]propyl]-N-butylbutan-1-amine
CID 57136840
2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
N',N'-dibutyl-N-[(2-methoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214523
1-[3-(bromomethyl)-3-methylhexoxy]-2-methoxybenzene
CID 66050883
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-[3-(bromomethyl)-3-ethylpentoxy]-2-methoxybenzene
CID 66050017

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine (CID 5262106) is N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine is CCCCN(CCCC)CCCOc1ccccc1OC.
What is the InChIKey of N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine?
The InChIKey is NAXHIWKYESNFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-6-13-19(14-7-5-2)15-10-16-21-18-12-9-8-11-17(18)20-3/h8-9,11-12H,4-7,10,13-16H2,1-3H3.
What are the key properties of N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine?
N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine is sourced from PubChem (CID 5262106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).