(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride

C10H15Cl3N2 — CID 171204661

IUPAC(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1c(Cl)cncc1Cl.Cl
InChIInChI=1S/C10H14Cl2N2.ClH/c1-6(2)3-9(13)10-7(11)4-14-5-8(10)12;/h4-6,9H,3,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyFTGPSNLVXDGPSE-SBSPUUFOSA-N
MW269.60 g/mol
LogP3.86
Rot. Bonds3

About (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171204661) has the molecular formula C10H15Cl3N2 and a molecular weight of 269.60 g/mol. Its IUPAC name is (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171204661
Molecular FormulaC10H15Cl3N2
Molecular Weight269.60 g/mol
Exact Mass268.03
IUPAC Name(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1c(Cl)cncc1Cl.Cl
InChIInChI=1S/C10H14Cl2N2.ClH/c1-6(2)3-9(13)10-7(11)4-14-5-8(10)12;/h4-6,9H,3,13H2,1-2H3;1H/t9-;/m1./s1
InChIKeyFTGPSNLVXDGPSE-SBSPUUFOSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
CID 171224260
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204667
(1S)-1-(3,6-dichloro-2-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171235268
(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224240
(1S)-1-(3,5-dichloro-4-pyridinyl)but-3-en-1-amine
CID 131186746
(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171208998
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209149
(1R)-1-(2,3-dichloro-6-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171215588
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
2,4-bis(3,5-dichloro-4-pyridinyl)pentan-3-one
CID 154128737
1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine
CID 119082698
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride (CID 171204661) is (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1c(Cl)cncc1Cl.Cl.
What is the InChIKey of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is FTGPSNLVXDGPSE-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14Cl2N2.ClH/c1-6(2)3-9(13)10-7(11)4-14-5-8(10)12;/h4-6,9H,3,13H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 269.60 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171204661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).