(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine

C10H12Cl2N2 — CID 130917410

IUPAC(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
SMILESN[C@@H](CC1CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C10H12Cl2N2/c11-7-4-14-5-8(12)10(7)9(13)3-6-1-2-6/h4-6,9H,1-3,13H2/t9-/m0/s1
InChIKeyKZSGVWMMVZMQFW-VIFPVBQESA-N
MW231.13 g/mol
LogP3.19
Rot. Bonds3

About (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine

(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine (PubChem CID 130917410) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
PubChem CID130917410
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
SMILESN[C@@H](CC1CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C10H12Cl2N2/c11-7-4-14-5-8(12)10(7)9(13)3-6-1-2-6/h4-6,9H,1-3,13H2/t9-/m0/s1
InChIKeyKZSGVWMMVZMQFW-VIFPVBQESA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-cyclopropyl-1-(2,3,5-trichloro-4-pyridinyl)ethanamine
CID 131486817
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
CID 131290746
(1S)-1-(3,5-dichloro-4-pyridinyl)but-3-en-1-amine
CID 131186746
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
CID 130642514
(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
CID 130658234
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204667
(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
CID 171224260
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171204661

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine (CID 130917410) is (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine is N[C@@H](CC1CC1)c1c(Cl)cncc1Cl.
What is the InChIKey of (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine?
The InChIKey is KZSGVWMMVZMQFW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-7-4-14-5-8(12)10(7)9(13)3-6-1-2-6/h4-6,9H,1-3,13H2/t9-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine?
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine has a molecular weight of 231.13 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 130917410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).