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

C14H22N2O — CID 106638318

IUPAC3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESc1ccc(OCCCNCC2CCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-2-7-14(8-3-1)17-11-5-9-15-12-13-6-4-10-16-13/h1-3,7-8,13,15-16H,4-6,9-12H2
InChIKeyCIGCBTLPFPSNTH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds7

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

3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106638318) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106638318
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESc1ccc(OCCCNCC2CCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-2-7-14(8-3-1)17-11-5-9-15-12-13-6-4-10-16-13/h1-3,7-8,13,15-16H,4-6,9-12H2
InChIKeyCIGCBTLPFPSNTH-UHFFFAOYSA-N
XLogP1.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
2-(2-phenoxyethoxymethyl)piperidine
CID 24692889
3-phenoxy-N-(thian-2-ylmethyl)propan-1-amine
CID 80600624
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336
1-phenyl-3-[3-[[(2S)-pyrrolidin-2-yl]methylamino]propyl]thiourea
CID 101480128
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106638318) is 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine is c1ccc(OCCCNCC2CCCN2)cc1.
What is the InChIKey of 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is CIGCBTLPFPSNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-7-14(8-3-1)17-11-5-9-15-12-13-6-4-10-16-13/h1-3,7-8,13,15-16H,4-6,9-12H2.
What are the key properties of 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106638318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).