N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine

C16H26N2O — CID 103913589

IUPACN-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOCC(NCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-19-14-16(15-8-3-2-4-9-15)17-10-7-13-18-11-5-6-12-18/h2-4,8-9,16-17H,5-7,10-14H2,1H3
InChIKeyIQYWGEQDJVOHKE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds8

About N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine

N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 103913589) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID103913589
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCOCC(NCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-19-14-16(15-8-3-2-4-9-15)17-10-7-13-18-11-5-6-12-18/h2-4,8-9,16-17H,5-7,10-14H2,1H3
InChIKeyIQYWGEQDJVOHKE-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
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

1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
N-(2-chloro-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 65026030
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 103464122
N-(2-methoxy-1-phenylethyl)hex-5-yn-1-amine
CID 106209643
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310
4-[(2-methoxy-1-phenylethyl)amino]butanoic acid
CID 103913559
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 103913589) is N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine is COCC(NCCCN1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is IQYWGEQDJVOHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-14-16(15-8-3-2-4-9-15)17-10-7-13-18-11-5-6-12-18/h2-4,8-9,16-17H,5-7,10-14H2,1H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 103913589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).