(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride

C13H20ClN — CID 11535925

IUPAC(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCc1ccccc1)C1CCC1
InChIInChI=1S/C13H19N.ClH/c14-13(12-7-4-8-12)10-9-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,14H2;1H/t13-;/m1./s1
InChIKeyTZMYETUVLRDPQL-BTQNPOSSSA-N
MW225.76 g/mol
LogP3.17
Rot. Bonds4

About (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride

(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride (PubChem CID 11535925) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
PubChem CID11535925
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCc1ccccc1)C1CCC1
InChIInChI=1S/C13H19N.ClH/c14-13(12-7-4-8-12)10-9-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,14H2;1H/t13-;/m1./s1
InChIKeyTZMYETUVLRDPQL-BTQNPOSSSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
(1-cyclobutyl-3-phenylpropyl)hydrazine
CID 105205787
1-cyclopentyl-2-phenylethanamine
CID 50988646
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
3,3-dicyclohexylpropylbenzene
CID 86671113
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride (CID 11535925) is (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride is Cl.N[C@H](CCc1ccccc1)C1CCC1.
What is the InChIKey of (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is TZMYETUVLRDPQL-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19N.ClH/c14-13(12-7-4-8-12)10-9-11-5-2-1-3-6-11;/h1-3,5-6,12-13H,4,7-10,14H2;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride?
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 11535925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).