(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine

C14H21N — CID 124744909

IUPAC(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCC(C)c1ccc([C@@H]2C[C@@H]2[C@H](C)N)cc1
InChIInChI=1S/C14H21N/c1-9(2)11-4-6-12(7-5-11)14-8-13(14)10(3)15/h4-7,9-10,13-14H,8,15H2,1-3H3/t10-,13+,14-/m0/s1
InChIKeyCARPVSQLWBUNLD-GDLCADMTSA-N
MW203.33 g/mol
LogP3.26
Rot. Bonds3

About (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine

(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine (PubChem CID 124744909) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
PubChem CID124744909
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCC(C)c1ccc([C@@H]2C[C@@H]2[C@H](C)N)cc1
InChIInChI=1S/C14H21N/c1-9(2)11-4-6-12(7-5-11)14-8-13(14)10(3)15/h4-7,9-10,13-14H,8,15H2,1-3H3/t10-,13+,14-/m0/s1
InChIKeyCARPVSQLWBUNLD-GDLCADMTSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1S)-1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 124831457
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
(1S)-1-[(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 29079367
1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 65022463
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
(1R)-1-[(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079111
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine (CID 124744909) is (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine is CC(C)c1ccc([C@@H]2C[C@@H]2[C@H](C)N)cc1.
What is the InChIKey of (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is CARPVSQLWBUNLD-GDLCADMTSA-N. The full InChI is InChI=1S/C14H21N/c1-9(2)11-4-6-12(7-5-11)14-8-13(14)10(3)15/h4-7,9-10,13-14H,8,15H2,1-3H3/t10-,13+,14-/m0/s1.
What are the key properties of (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine?
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 203.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 124744909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).