N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine

C17H28N2O — CID 62460740

IUPACN-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCN2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-15(2)18-13-16-6-5-7-17(12-16)14-20-11-10-19-8-3-4-9-19/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3
InChIKeyANFSMFYVOXWIQN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds8

About N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine

N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 62460740) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
PubChem CID62460740
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(COCCN2CCCC2)c1
InChIInChI=1S/C17H28N2O/c1-15(2)18-13-16-6-5-7-17(12-16)14-20-11-10-19-8-3-4-9-19/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3
InChIKeyANFSMFYVOXWIQN-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 62442424
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CID 106206202
3-(2-pyrrolidin-1-ylethoxymethyl)aniline
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1-[2-[[3-[1-[3-[2-(aziridin-1-yl)ethoxymethyl]phenyl]ethyl]phenyl]methoxy]ethyl]aziridine
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N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
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N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62458420
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
CID 58513850
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 82888283
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine (CID 62460740) is N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(COCCN2CCCC2)c1.
What is the InChIKey of N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is ANFSMFYVOXWIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)18-13-16-6-5-7-17(12-16)14-20-11-10-19-8-3-4-9-19/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3.
What are the key properties of N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine?
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62460740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).