2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride

C19H27ClN2 — CID 3045691

IUPAC2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(CCCCc2ccccc2CN)cc1
InChIInChI=1S/C19H26N2.ClH/c20-14-13-17-11-9-16(10-12-17)5-1-2-6-18-7-3-4-8-19(18)15-21;/h3-4,7-12H,1-2,5-6,13-15,20-21H2;1H
InChIKeyZXAMJAPEOXOPGE-UHFFFAOYSA-N
MW318.89 g/mol
LogP3.63
Rot. Bonds8

About 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride

2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride (PubChem CID 3045691) has the molecular formula C19H27ClN2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride
PubChem CID3045691
Molecular FormulaC19H27ClN2
Molecular Weight318.89 g/mol
Exact Mass318.19
IUPAC Name2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(CCCCc2ccccc2CN)cc1
InChIInChI=1S/C19H26N2.ClH/c20-14-13-17-11-9-16(10-12-17)5-1-2-6-18-7-3-4-8-19(18)15-21;/h3-4,7-12H,1-2,5-6,13-15,20-21H2;1H
InChIKeyZXAMJAPEOXOPGE-UHFFFAOYSA-N
XLogP3.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride (CID 3045691) is 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(CCCCc2ccccc2CN)cc1.
What is the InChIKey of 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride?
The InChIKey is ZXAMJAPEOXOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.ClH/c20-14-13-17-11-9-16(10-12-17)5-1-2-6-18-7-3-4-8-19(18)15-21;/h3-4,7-12H,1-2,5-6,13-15,20-21H2;1H.
What are the key properties of 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride?
2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 3045691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).