trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride

C19H24ClNO — CID 67574078

IUPACtrans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@H]1COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO.ClH/c20-19-8-4-7-17(19)14-21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15;/h1-3,5-6,9-12,17,19H,4,7-8,13-14,20H2;1H/t17-,19-;/m0./s1
InChIKeyYIMHASCCPPAKIH-QQTWVUFVSA-N
MW317.86 g/mol
LogP4.21
Rot. Bonds5

About trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride

trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride (PubChem CID 67574078) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride
PubChem CID67574078
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Nametrans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@H]1COc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO.ClH/c20-19-8-4-7-17(19)14-21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15;/h1-3,5-6,9-12,17,19H,4,7-8,13-14,20H2;1H/t17-,19-;/m0./s1
InChIKeyYIMHASCCPPAKIH-QQTWVUFVSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylphenoxy)cyclopentan-1-amine
CID 62274386
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 67653412
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
(4-benzylphenoxy)methanamine
CID 67208849
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
CID 162338619
CID 162338619
2-[2-[(4-benzylphenoxy)methyl]pyrrolidin-1-yl]acetic acid
CID 68998811
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride (CID 67574078) is trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride is Cl.N[C@H]1CCC[C@H]1COc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The InChIKey is YIMHASCCPPAKIH-QQTWVUFVSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c20-19-8-4-7-17(19)14-21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15;/h1-3,5-6,9-12,17,19H,4,7-8,13-14,20H2;1H/t17-,19-;/m0./s1.
What are the key properties of trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride?
trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(4-benzylphenoxy)methyl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 67574078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).