(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride

C10H12ClF2N — CID 171229648

IUPAC(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C10H11F2N.ClH/c11-8-4-3-7(5-9(8)12)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H/t10-;/m0./s1
InChIKeyTVKYGZGOIGFKIR-PPHPATTJSA-N
MW219.66 g/mol
LogP2.80
Rot. Bonds2

About (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride

(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride (PubChem CID 171229648) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
PubChem CID171229648
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C10H11F2N.ClH/c11-8-4-3-7(5-9(8)12)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H/t10-;/m0./s1
InChIKeyTVKYGZGOIGFKIR-PPHPATTJSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride
CID 171210982
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride (CID 171229648) is (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride is Cl.N[C@H](c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride?
The InChIKey is TVKYGZGOIGFKIR-PPHPATTJSA-N. The full InChI is InChI=1S/C10H11F2N.ClH/c11-8-4-3-7(5-9(8)12)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H/t10-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride has a molecular weight of 219.66 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171229648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).