[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine

C19H26N2O2 — CID 14954099

IUPAC[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine
SMILESNCc1ccc(OCCCCCOc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H26N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-15,20-21H2
InChIKeyWOAXDZXKNMNEBO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.23
Rot. Bonds10

About [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine

[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine (PubChem CID 14954099) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine
PubChem CID14954099
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine
SMILESNCc1ccc(OCCCCCOc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H26N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-15,20-21H2
InChIKeyWOAXDZXKNMNEBO-UHFFFAOYSA-N
XLogP3.23
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine?
The IUPAC name of [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine (CID 14954099) is [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine.
What is the SMILES notation for [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine?
The canonical SMILES for [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine is NCc1ccc(OCCCCCOc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine?
The InChIKey is WOAXDZXKNMNEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-15,20-21H2.
What are the key properties of [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine?
[4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(aminomethyl)phenoxy]pentoxy]phenyl]methanamine is sourced from PubChem (CID 14954099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).