[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride

C15H24ClNO — CID 70687692

IUPAC[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc(OCC(C)C)c([C@H]2C[C@@H]2CN)c1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10(2)9-17-15-5-4-11(3)6-14(15)13-7-12(13)8-16;/h4-6,10,12-13H,7-9,16H2,1-3H3;1H/t12-,13+;/m1./s1
InChIKeyMGZMILDZOQADRR-KZCZEQIWSA-N
MW269.82 g/mol
LogP3.51
Rot. Bonds5

About [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 70687692) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID70687692
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc(OCC(C)C)c([C@H]2C[C@@H]2CN)c1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-10(2)9-17-15-5-4-11(3)6-14(15)13-7-12(13)8-16;/h4-6,10,12-13H,7-9,16H2,1-3H3;1H/t12-,13+;/m1./s1
InChIKeyMGZMILDZOQADRR-KZCZEQIWSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
CID 130889443
[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
CID 86287636
2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 141455426
5-methyl-2-(2-methylpropoxy)benzenecarbothioamide
CID 107929464
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011736
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
CID 46937337
3-[5-methyl-2-(2-methylpropoxy)phenyl]prop-2-yn-1-amine
CID 60801034
[2-[2-[4-[2-(aminomethyl)-3-[5-chloro-2-(2-methoxyethoxy)phenyl]cyclopropyl]-3-methylbutoxy]-5-chlorophenyl]cyclopropyl]methanamine
CID 139469614
[(1S,2S)-2-[2-methoxy-5-(2-methylphenyl)phenyl]cyclopropyl]methanamine
CID 70689811
2-[5-methyl-2-(2-methylpropoxy)phenyl]acetic acid
CID 39103888
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride (CID 70687692) is [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride is Cc1ccc(OCC(C)C)c([C@H]2C[C@@H]2CN)c1.Cl.
What is the InChIKey of [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is MGZMILDZOQADRR-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-10(2)9-17-15-5-4-11(3)6-14(15)13-7-12(13)8-16;/h4-6,10,12-13H,7-9,16H2,1-3H3;1H/t12-,13+;/m1./s1.
What are the key properties of [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 70687692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).