N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C16H25ClN2 — CID 62511596

IUPACN-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)ccc1N1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H25ClN2/c1-12-9-14(17)5-6-15(12)19-8-7-13(11-19)10-18-16(2,3)4/h5-6,9,13,18H,7-8,10-11H2,1-4H3
InChIKeyZJIVDQCLMHMUCJ-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.86
Rot. Bonds3

About N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62511596) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62511596
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)ccc1N1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H25ClN2/c1-12-9-14(17)5-6-15(12)19-8-7-13(11-19)10-18-16(2,3)4/h5-6,9,13,18H,7-8,10-11H2,1-4H3
InChIKeyZJIVDQCLMHMUCJ-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511752
N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 104727346
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028465
2-methyl-N-[[1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63327737
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
2-methyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512720
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 62511596) is N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is Cc1cc(Cl)ccc1N1CCC(CNC(C)(C)C)C1.
What is the InChIKey of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZJIVDQCLMHMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12-9-14(17)5-6-15(12)19-8-7-13(11-19)10-18-16(2,3)4/h5-6,9,13,18H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62511596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).