N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine

C15H22ClFN2 — CID 117045174

IUPACN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCc1cc(Cl)c(CN(C)CCC2CCNC2)cc1F
InChIInChI=1S/C15H22ClFN2/c1-11-7-14(16)13(8-15(11)17)10-19(2)6-4-12-3-5-18-9-12/h7-8,12,18H,3-6,9-10H2,1-2H3
InChIKeyBMDWWVRBEXQYTG-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine

N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 117045174) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID117045174
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCc1cc(Cl)c(CN(C)CCC2CCNC2)cc1F
InChIInChI=1S/C15H22ClFN2/c1-11-7-14(16)13(8-15(11)17)10-19(2)6-4-12-3-5-18-9-12/h7-8,12,18H,3-6,9-10H2,1-2H3
InChIKeyBMDWWVRBEXQYTG-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210629
N-(bromomethyl)-1-(2-chloro-5-fluoro-4-methylphenyl)-N-methylmethanamine
CID 115262157
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210838
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
CID 115118414
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
CID 116927908
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N'-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 117045150
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine (CID 117045174) is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine is Cc1cc(Cl)c(CN(C)CCC2CCNC2)cc1F.
What is the InChIKey of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is BMDWWVRBEXQYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-11-7-14(16)13(8-15(11)17)10-19(2)6-4-12-3-5-18-9-12/h7-8,12,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine?
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 117045174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).