[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine

C14H22ClNO3 — CID 61483236

IUPAC[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
SMILESCCCCOCCOc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C14H22ClNO3/c1-3-4-5-18-6-7-19-14-12(15)8-11(10-16)9-13(14)17-2/h8-9H,3-7,10,16H2,1-2H3
InChIKeySVSWODJHEFKMMD-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.00
Rot. Bonds9

About [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine

[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine (PubChem CID 61483236) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
PubChem CID61483236
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine
SMILESCCCCOCCOc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C14H22ClNO3/c1-3-4-5-18-6-7-19-14-12(15)8-11(10-16)9-13(14)17-2/h8-9H,3-7,10,16H2,1-2H3
InChIKeySVSWODJHEFKMMD-UHFFFAOYSA-N
XLogP3.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-4-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 54856586
[3-chloro-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanamine
CID 113473251
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
[3-chloro-5-methoxy-4-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191093
5-(bromomethyl)-1-chloro-2-hexoxy-3-methoxybenzene
CID 43324495
5-(bromomethyl)-1-chloro-3-methoxy-2-octoxybenzene
CID 43324494
3-butoxy-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propan-1-amine
CID 17207747
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310
[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20986388
[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 103566173
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055

Frequently Asked Questions

What is the IUPAC name of [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine?
The IUPAC name of [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine (CID 61483236) is [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine?
The canonical SMILES for [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine is CCCCOCCOc1c(Cl)cc(CN)cc1OC.
What is the InChIKey of [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine?
The InChIKey is SVSWODJHEFKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-3-4-5-18-6-7-19-14-12(15)8-11(10-16)9-13(14)17-2/h8-9H,3-7,10,16H2,1-2H3.
What are the key properties of [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine?
[4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine has a molecular weight of 287.79 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxy)-3-chloro-5-methoxyphenyl]methanamine is sourced from PubChem (CID 61483236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).