(3R)-3-(2,4-dichlorophenyl)butan-1-amine

C10H13Cl2N — CID 95914063

IUPAC(3R)-3-(2,4-dichlorophenyl)butan-1-amine
SMILESC[C@H](CCN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N/c1-7(4-5-13)9-3-2-8(11)6-10(9)12/h2-3,6-7H,4-5,13H2,1H3/t7-/m1/s1
InChIKeyNJYGEIPMNNESGU-SSDOTTSWSA-N
MW218.13 g/mol
LogP3.45
Rot. Bonds3

About (3R)-3-(2,4-dichlorophenyl)butan-1-amine

(3R)-3-(2,4-dichlorophenyl)butan-1-amine (PubChem CID 95914063) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is (3R)-3-(2,4-dichlorophenyl)butan-1-amine.

Molecular Properties

Compound Name(3R)-3-(2,4-dichlorophenyl)butan-1-amine
PubChem CID95914063
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name(3R)-3-(2,4-dichlorophenyl)butan-1-amine
SMILESC[C@H](CCN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N/c1-7(4-5-13)9-3-2-8(11)6-10(9)12/h2-3,6-7H,4-5,13H2,1H3/t7-/m1/s1
InChIKeyNJYGEIPMNNESGU-SSDOTTSWSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
3-[2-chloro-4-(1,1-difluoroethyl)phenyl]butan-1-amine
CID 117372520
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234
3-(2,4-dichlorophenyl)butanenitrile;ethane
CID 145081047
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
3-(4-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782148

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dichlorophenyl)butan-1-amine?
The IUPAC name of (3R)-3-(2,4-dichlorophenyl)butan-1-amine (CID 95914063) is (3R)-3-(2,4-dichlorophenyl)butan-1-amine.
What is the SMILES notation for (3R)-3-(2,4-dichlorophenyl)butan-1-amine?
The canonical SMILES for (3R)-3-(2,4-dichlorophenyl)butan-1-amine is C[C@H](CCN)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R)-3-(2,4-dichlorophenyl)butan-1-amine?
The InChIKey is NJYGEIPMNNESGU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-7(4-5-13)9-3-2-8(11)6-10(9)12/h2-3,6-7H,4-5,13H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-(2,4-dichlorophenyl)butan-1-amine?
(3R)-3-(2,4-dichlorophenyl)butan-1-amine has a molecular weight of 218.13 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dichlorophenyl)butan-1-amine is sourced from PubChem (CID 95914063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).