3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H28N2O — CID 106614336

IUPAC3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)N(CCCOc1ccccc1)CC1CCCN1
InChIInChI=1S/C17H28N2O/c1-15(2)19(14-16-8-6-11-18-16)12-7-13-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3
InChIKeyYOGSHNTZNYYHFO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds8

About 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106614336) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106614336
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)N(CCCOc1ccccc1)CC1CCCN1
InChIInChI=1S/C17H28N2O/c1-15(2)19(14-16-8-6-11-18-16)12-7-13-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3
InChIKeyYOGSHNTZNYYHFO-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632189
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638318
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
CID 141046918
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
N-[3-(4-fluorophenoxy)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519918
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106614336) is 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)N(CCCOc1ccccc1)CC1CCCN1.
What is the InChIKey of 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is YOGSHNTZNYYHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)19(14-16-8-6-11-18-16)12-7-13-20-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3.
What are the key properties of 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106614336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).