N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine

C18H30N2 — CID 115464064

IUPACN-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1CCCC1(C)C
InChIInChI=1S/C18H30N2/c1-15(2)19-12-10-16-8-5-6-9-17(16)14-20-13-7-11-18(20,3)4/h5-6,8-9,15,19H,7,10-14H2,1-4H3
InChIKeyMOMIWWFYAAGKKR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine

N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 115464064) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID115464064
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1CCCC1(C)C
InChIInChI=1S/C18H30N2/c1-15(2)19-12-10-16-8-5-6-9-17(16)14-20-13-7-11-18(20,3)4/h5-6,8-9,15,19H,7,10-14H2,1-4H3
InChIKeyMOMIWWFYAAGKKR-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 115464064) is N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1CN1CCCC1(C)C.
What is the InChIKey of N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is MOMIWWFYAAGKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)19-12-10-16-8-5-6-9-17(16)14-20-13-7-11-18(20,3)4/h5-6,8-9,15,19H,7,10-14H2,1-4H3.
What are the key properties of N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).