[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride

C15H24ClNO — CID 70681343

IUPAC[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCCCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-6-9-17-15-8-5-4-7-13(15)14-10-12(14)11-16;/h4-5,7-8,12,14H,2-3,6,9-11,16H2,1H3;1H/t12-,14+;/m1./s1
InChIKeyRJLGAXVDZVHFOW-OJMBIDBESA-N
MW269.82 g/mol
LogP3.74
Rot. Bonds7

About [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 70681343) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID70681343
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCCCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-6-9-17-15-8-5-4-7-13(15)14-10-12(14)11-16;/h4-5,7-8,12,14H,2-3,6,9-11,16H2,1H3;1H/t12-,14+;/m1./s1
InChIKeyRJLGAXVDZVHFOW-OJMBIDBESA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
1-methoxy-2-[(1S,2R)-2-pentylcyclopropyl]benzene
CID 101342444
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662
[(1R,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557663
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
2-octoxyaniline
CID 14747235
[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81009765
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
9-(2-heptoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 126087665

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 70681343) is [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride is CCCCCOc1ccccc1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is RJLGAXVDZVHFOW-OJMBIDBESA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-2-3-6-9-17-15-8-5-4-7-13(15)14-10-12(14)11-16;/h4-5,7-8,12,14H,2-3,6,9-11,16H2,1H3;1H/t12-,14+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70681343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).