2-cyclopropyl-2-phenylethanamine;hydrochloride

C11H16ClN — CID 57365234

IUPAC2-cyclopropyl-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)C1CC1
InChIInChI=1S/C11H15N.ClH/c12-8-11(10-6-7-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
InChIKeyTVHSQHSVPKMTHU-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclopropyl-2-phenylethanamine;hydrochloride

2-cyclopropyl-2-phenylethanamine;hydrochloride (PubChem CID 57365234) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-cyclopropyl-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-2-phenylethanamine;hydrochloride
PubChem CID57365234
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-cyclopropyl-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)C1CC1
InChIInChI=1S/C11H15N.ClH/c12-8-11(10-6-7-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
InChIKeyTVHSQHSVPKMTHU-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835
2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
CID 83973421
2-cyclobutyl-2-(4-methylphenyl)ethanamine
CID 55269565
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
2-(3-bromophenyl)-2-(thian-4-yl)ethanamine
CID 83975336
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-phenylethanamine;hydrochloride?
The IUPAC name of 2-cyclopropyl-2-phenylethanamine;hydrochloride (CID 57365234) is 2-cyclopropyl-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-2-phenylethanamine;hydrochloride is Cl.NCC(c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-phenylethanamine;hydrochloride?
The InChIKey is TVHSQHSVPKMTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c12-8-11(10-6-7-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H.
What are the key properties of 2-cyclopropyl-2-phenylethanamine;hydrochloride?
2-cyclopropyl-2-phenylethanamine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 57365234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).