N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C17H28N2O — CID 106603171

IUPACN-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCOc1cccc(C(C)N(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)19(12-16-8-6-10-18-16)14(3)15-7-5-9-17(11-15)20-4/h5,7,9,11,13-14,16,18H,6,8,10,12H2,1-4H3
InChIKeyWVBATWOVLZTTMD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603171) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603171
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCOc1cccc(C(C)N(CC2CCCN2)C(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)19(12-16-8-6-10-18-16)14(3)15-7-5-9-17(11-15)20-4/h5,7,9,11,13-14,16,18H,6,8,10,12H2,1-4H3
InChIKeyWVBATWOVLZTTMD-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604112
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603186
3-methoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607691
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
N-[1-(2-ethoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602862
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106632816
2-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106603167
4-[1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 106602925
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603171) is N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is COc1cccc(C(C)N(CC2CCCN2)C(C)C)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is WVBATWOVLZTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)19(12-16-8-6-10-18-16)14(3)15-7-5-9-17(11-15)20-4/h5,7,9,11,13-14,16,18H,6,8,10,12H2,1-4H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).