1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine

C14H15BrN2O — CID 114057557

IUPAC1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10(16)8-11-4-3-7-17-14(11)18-13-6-2-5-12(15)9-13/h2-7,9-10H,8,16H2,1H3
InChIKeyBXFDSSBRRBPSCF-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine

1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine (PubChem CID 114057557) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine
PubChem CID114057557
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10(16)8-11-4-3-7-17-14(11)18-13-6-2-5-12(15)9-13/h2-7,9-10H,8,16H2,1H3
InChIKeyBXFDSSBRRBPSCF-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 78883963
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63487635
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
CID 43351770
[2-(3-ethylphenoxy)-3-pyridinyl]methanamine
CID 24706317
1-quinolin-8-ylpropan-2-amine
CID 63968867
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
3-(chloromethyl)-2-(3-chlorophenoxy)pyridine
CID 61267697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine (CID 114057557) is 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine is CC(N)Cc1cccnc1Oc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine?
The InChIKey is BXFDSSBRRBPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(16)8-11-4-3-7-17-14(11)18-13-6-2-5-12(15)9-13/h2-7,9-10H,8,16H2,1H3.
What are the key properties of 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine?
1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 114057557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).