(3-heptoxy-4-methoxyphenyl)methanamine

C15H25NO2 — CID 43129051

IUPAC(3-heptoxy-4-methoxyphenyl)methanamine
SMILESCCCCCCCOc1cc(CN)ccc1OC
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h8-9,11H,3-7,10,12,16H2,1-2H3
InChIKeyYSIXKUUOADAICB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.50
Rot. Bonds9

About (3-heptoxy-4-methoxyphenyl)methanamine

(3-heptoxy-4-methoxyphenyl)methanamine (PubChem CID 43129051) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3-heptoxy-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-heptoxy-4-methoxyphenyl)methanamine
PubChem CID43129051
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3-heptoxy-4-methoxyphenyl)methanamine
SMILESCCCCCCCOc1cc(CN)ccc1OC
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h8-9,11H,3-7,10,12,16H2,1-2H3
InChIKeyYSIXKUUOADAICB-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.50
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

(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
[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
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431

Frequently Asked Questions

What is the IUPAC name of (3-heptoxy-4-methoxyphenyl)methanamine?
The IUPAC name of (3-heptoxy-4-methoxyphenyl)methanamine (CID 43129051) is (3-heptoxy-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-heptoxy-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-heptoxy-4-methoxyphenyl)methanamine is CCCCCCCOc1cc(CN)ccc1OC.
What is the InChIKey of (3-heptoxy-4-methoxyphenyl)methanamine?
The InChIKey is YSIXKUUOADAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-18-15-11-13(12-16)8-9-14(15)17-2/h8-9,11H,3-7,10,12,16H2,1-2H3.
What are the key properties of (3-heptoxy-4-methoxyphenyl)methanamine?
(3-heptoxy-4-methoxyphenyl)methanamine has a molecular weight of 251.37 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-heptoxy-4-methoxyphenyl)methanamine is sourced from PubChem (CID 43129051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).