(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride

C12H20ClN3 — CID 75210674

IUPAC(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride
SMILESCC1NNC(C)C1C(N)c1ccccc1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-8-11(9(2)15-14-8)12(13)10-6-4-3-5-7-10;/h3-9,11-12,14-15H,13H2,1-2H3;1H
InChIKeyMCDAOVQMOKUTRR-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.61
Rot. Bonds2

About (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride

(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride (PubChem CID 75210674) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride
PubChem CID75210674
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride
SMILESCC1NNC(C)C1C(N)c1ccccc1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-8-11(9(2)15-14-8)12(13)10-6-4-3-5-7-10;/h3-9,11-12,14-15H,13H2,1-2H3;1H
InChIKeyMCDAOVQMOKUTRR-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-adamantyl(phenyl)methanamine
CID 81096130
dimethylphosphoryl(phenyl)methanamine;hydrochloride
CID 155819704
cyclohexyl(phenyl)methanamine
CID 11064121
oxetan-3-yl(phenyl)methanamine
CID 155387593
ethane;(1R)-1-phenylethanamine
CID 142977390
diphenylmethanamine;methanethiol
CID 143873840
1-bromo-1-phenylpropan-2-amine
CID 12709385
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
acetic acid;(R)-phenyl-[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
CID 68671763
(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
CID 76974285
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
(1R)-1-phenylethanamine;propan-2-one
CID 54416751

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride?
The IUPAC name of (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride (CID 75210674) is (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride.
What is the SMILES notation for (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride?
The canonical SMILES for (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride is CC1NNC(C)C1C(N)c1ccccc1.Cl.
What is the InChIKey of (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride?
The InChIKey is MCDAOVQMOKUTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-8-11(9(2)15-14-8)12(13)10-6-4-3-5-7-10;/h3-9,11-12,14-15H,13H2,1-2H3;1H.
What are the key properties of (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride?
(3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazolidin-4-yl)-phenylmethanamine;hydrochloride is sourced from PubChem (CID 75210674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).