1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine

C14H22BrNO2 — CID 55018053

IUPAC1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
SMILESCC(C)OCCOC(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C14H22BrNO2/c1-10(2)17-7-8-18-14(11(3)16)12-5-4-6-13(15)9-12/h4-6,9-11,14H,7-8,16H2,1-3H3
InChIKeyCYGLEOBFWBNWOB-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.28
Rot. Bonds7

About 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine

1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine (PubChem CID 55018053) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
PubChem CID55018053
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
SMILESCC(C)OCCOC(c1cccc(Br)c1)C(C)N
InChIInChI=1S/C14H22BrNO2/c1-10(2)17-7-8-18-14(11(3)16)12-5-4-6-13(15)9-12/h4-6,9-11,14H,7-8,16H2,1-3H3
InChIKeyCYGLEOBFWBNWOB-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.28
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-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
CID 82954803
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
1-(3-bromophenyl)-1-octan-2-yloxypropan-2-amine
CID 63459544
1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
CID 63461552
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
CID 63459943
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine (CID 55018053) is 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine is CC(C)OCCOC(c1cccc(Br)c1)C(C)N.
What is the InChIKey of 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
The InChIKey is CYGLEOBFWBNWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10(2)17-7-8-18-14(11(3)16)12-5-4-6-13(15)9-12/h4-6,9-11,14H,7-8,16H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine has a molecular weight of 316.24 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine is sourced from PubChem (CID 55018053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).