N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

C16H23ClN2 — CID 114851124

IUPACN-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1(C)CCCN1c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H23ClN2/c1-16(2)8-3-9-19(16)15-7-4-13(17)10-12(15)11-18-14-5-6-14/h4,7,10,14,18H,3,5-6,8-9,11H2,1-2H3
InChIKeyBXRTXLIMTKIJCB-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.97
Rot. Bonds4

About N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114851124) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID114851124
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1(C)CCCN1c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H23ClN2/c1-16(2)8-3-9-19(16)15-7-4-13(17)10-12(15)11-18-14-5-6-14/h4,7,10,14,18H,3,5-6,8-9,11H2,1-2H3
InChIKeyBXRTXLIMTKIJCB-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114861034
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114851568
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922
1-[5-chloro-2-(4,4-dimethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851889
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 63217806
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
N-[[5-(2,2-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107380178
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine (CID 114851124) is N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is CC1(C)CCCN1c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is BXRTXLIMTKIJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-16(2)8-3-9-19(16)15-7-4-13(17)10-12(15)11-18-14-5-6-14/h4,7,10,14,18H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 278.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114851124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).