N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine

C14H20Cl2N2 — CID 104726429

IUPACN-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCc1cc(Cl)c(NC2CCN(C(C)C)C2)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-9(2)18-5-4-11(8-18)17-14-7-12(15)10(3)6-13(14)16/h6-7,9,11,17H,4-5,8H2,1-3H3
InChIKeyKKGKWUILQZEQRY-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.20
Rot. Bonds3

About N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine

N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 104726429) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID104726429
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCc1cc(Cl)c(NC2CCN(C(C)C)C2)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-9(2)18-5-4-11(8-18)17-14-7-12(15)10(3)6-13(14)16/h6-7,9,11,17H,4-5,8H2,1-3H3
InChIKeyKKGKWUILQZEQRY-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(2-bromo-5-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 82761403
4-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]benzonitrile
CID 62104291
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 81291729
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine (CID 104726429) is N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine is Cc1cc(Cl)c(NC2CCN(C(C)C)C2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KKGKWUILQZEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-9(2)18-5-4-11(8-18)17-14-7-12(15)10(3)6-13(14)16/h6-7,9,11,17H,4-5,8H2,1-3H3.
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 287.23 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 104726429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).