(2-octoxy-4-propoxyphenyl)methanamine

C18H31NO2 — CID 43472093

IUPAC(2-octoxy-4-propoxyphenyl)methanamine
SMILESCCCCCCCCOc1cc(OCCC)ccc1CN
InChIInChI=1S/C18H31NO2/c1-3-5-6-7-8-9-13-21-18-14-17(20-12-4-2)11-10-16(18)15-19/h10-11,14H,3-9,12-13,15,19H2,1-2H3
InChIKeyMQKIJDVORUFSRY-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.67
Rot. Bonds12

About (2-octoxy-4-propoxyphenyl)methanamine

(2-octoxy-4-propoxyphenyl)methanamine (PubChem CID 43472093) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2-octoxy-4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-octoxy-4-propoxyphenyl)methanamine
PubChem CID43472093
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2-octoxy-4-propoxyphenyl)methanamine
SMILESCCCCCCCCOc1cc(OCCC)ccc1CN
InChIInChI=1S/C18H31NO2/c1-3-5-6-7-8-9-13-21-18-14-17(20-12-4-2)11-10-16(18)15-19/h10-11,14H,3-9,12-13,15,19H2,1-2H3
InChIKeyMQKIJDVORUFSRY-UHFFFAOYSA-N
XLogP4.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
4-octoxy-2-propoxyaniline
CID 63676334
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
(2,4-dipentoxyphenyl)methanol
CID 54794877
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
[2-(aminomethyl)-4-octoxyphenyl]methanethiol
CID 139514618
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837

Frequently Asked Questions

What is the IUPAC name of (2-octoxy-4-propoxyphenyl)methanamine?
The IUPAC name of (2-octoxy-4-propoxyphenyl)methanamine (CID 43472093) is (2-octoxy-4-propoxyphenyl)methanamine.
What is the SMILES notation for (2-octoxy-4-propoxyphenyl)methanamine?
The canonical SMILES for (2-octoxy-4-propoxyphenyl)methanamine is CCCCCCCCOc1cc(OCCC)ccc1CN.
What is the InChIKey of (2-octoxy-4-propoxyphenyl)methanamine?
The InChIKey is MQKIJDVORUFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-5-6-7-8-9-13-21-18-14-17(20-12-4-2)11-10-16(18)15-19/h10-11,14H,3-9,12-13,15,19H2,1-2H3.
What are the key properties of (2-octoxy-4-propoxyphenyl)methanamine?
(2-octoxy-4-propoxyphenyl)methanamine has a molecular weight of 293.45 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octoxy-4-propoxyphenyl)methanamine is sourced from PubChem (CID 43472093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).