(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride

C13H22ClNO2 — CID 19871589

IUPAC(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
SMILESCCCCCOc1cc(CN)ccc1OC.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2;/h6-7,9H,3-5,8,10,14H2,1-2H3;1H
InChIKeyICPOTDRNZWYKBX-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.14
Rot. Bonds7

About (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride

(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride (PubChem CID 19871589) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
PubChem CID19871589
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
SMILESCCCCCOc1cc(CN)ccc1OC.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2;/h6-7,9H,3-5,8,10,14H2,1-2H3;1H
InChIKeyICPOTDRNZWYKBX-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.14
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

(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
1-(4-methoxy-3-pentoxyphenyl)propan-2-amine
CID 54929182
(3-bromo-4-pentoxyphenyl)methanamine
CID 63047212
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride (CID 19871589) is (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride is CCCCCOc1cc(CN)ccc1OC.Cl.
What is the InChIKey of (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride?
The InChIKey is ICPOTDRNZWYKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2;/h6-7,9H,3-5,8,10,14H2,1-2H3;1H.
What are the key properties of (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride?
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19871589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).