N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride

C20H26ClNO — CID 2983087

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride
SMILESCC(NCc1ccccc1OC1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-16(17-9-3-2-4-10-17)21-15-18-11-5-8-14-20(18)22-19-12-6-7-13-19;/h2-5,8-11,14,16,19,21H,6-7,12-13,15H2,1H3;1H
InChIKeyJILMIWQSQIKGCV-UHFFFAOYSA-N
MW331.89 g/mol
LogP5.28
Rot. Bonds6

About N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride

N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride (PubChem CID 2983087) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride
PubChem CID2983087
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride
SMILESCC(NCc1ccccc1OC1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-16(17-9-3-2-4-10-17)21-15-18-11-5-8-14-20(18)22-19-12-6-7-13-19;/h2-5,8-11,14,16,19,21H,6-7,12-13,15H2,1H3;1H
InChIKeyJILMIWQSQIKGCV-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.89
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride (CID 2983087) is N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride is CC(NCc1ccccc1OC1CCCC1)c1ccccc1.Cl.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride?
The InChIKey is JILMIWQSQIKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-16(17-9-3-2-4-10-17)21-15-18-11-5-8-14-20(18)22-19-12-6-7-13-19;/h2-5,8-11,14,16,19,21H,6-7,12-13,15H2,1H3;1H.
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride?
N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 2983087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).