3-(2-amino-1-phenylethoxy)propan-1-amine

C11H18N2O — CID 70040020

IUPAC3-(2-amino-1-phenylethoxy)propan-1-amine
SMILESNCCCOC(CN)c1ccccc1
InChIInChI=1S/C11H18N2O/c12-7-4-8-14-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12-13H2
InChIKeyKFQRIAVWSLYLDF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds6

About 3-(2-amino-1-phenylethoxy)propan-1-amine

3-(2-amino-1-phenylethoxy)propan-1-amine (PubChem CID 70040020) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-amino-1-phenylethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-amino-1-phenylethoxy)propan-1-amine
PubChem CID70040020
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-amino-1-phenylethoxy)propan-1-amine
SMILESNCCCOC(CN)c1ccccc1
InChIInChI=1S/C11H18N2O/c12-7-4-8-14-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12-13H2
InChIKeyKFQRIAVWSLYLDF-UHFFFAOYSA-N
XLogP1.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.05
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

3-butoxy-3-phenylpropan-1-amine
CID 114998461
2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 113248979
methyl 2-(3-aminopropoxy)-2-phenylacetate
CID 82352677
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
CID 58172290
2-hexoxy-2-(3-methylphenyl)ethanamine
CID 55020472
2-phenylpentane-1,5-diamine
CID 22770284
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
(2-amino-1-phenylethyl) carbamate
CID 57066991
1-pentoxypropylbenzene
CID 57033372

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-phenylethoxy)propan-1-amine?
The IUPAC name of 3-(2-amino-1-phenylethoxy)propan-1-amine (CID 70040020) is 3-(2-amino-1-phenylethoxy)propan-1-amine.
What is the SMILES notation for 3-(2-amino-1-phenylethoxy)propan-1-amine?
The canonical SMILES for 3-(2-amino-1-phenylethoxy)propan-1-amine is NCCCOC(CN)c1ccccc1.
What is the InChIKey of 3-(2-amino-1-phenylethoxy)propan-1-amine?
The InChIKey is KFQRIAVWSLYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-4-8-14-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12-13H2.
What are the key properties of 3-(2-amino-1-phenylethoxy)propan-1-amine?
3-(2-amino-1-phenylethoxy)propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-phenylethoxy)propan-1-amine is sourced from PubChem (CID 70040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).