N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine

C16H26N2 — CID 62513878

IUPACN-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCCc1ccccc1N1CCC(CNC(C)C)C1
InChIInChI=1S/C16H26N2/c1-4-15-7-5-6-8-16(15)18-10-9-14(12-18)11-17-13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyFXNIRMXXHXYXMM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.07
Rot. Bonds5

About N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62513878) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62513878
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCCc1ccccc1N1CCC(CNC(C)C)C1
InChIInChI=1S/C16H26N2/c1-4-15-7-5-6-8-16(15)18-10-9-14(12-18)11-17-13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyFXNIRMXXHXYXMM-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-bromo-1H-pyrrol-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 141399761
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
N-[[1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511727
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511752
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 43620593
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
CID 166683418
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512611

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 62513878) is N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine is CCc1ccccc1N1CCC(CNC(C)C)C1.
What is the InChIKey of N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is FXNIRMXXHXYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15-7-5-6-8-16(15)18-10-9-14(12-18)11-17-13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62513878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).