N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine

C13H18BrNO — CID 60878379

IUPACN-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(Br)COc1ccc(CNC(C)C)cc1
InChIInChI=1S/C13H18BrNO/c1-10(2)15-8-12-4-6-13(7-5-12)16-9-11(3)14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyGLUZVUSOQMINFM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.47
Rot. Bonds6

About N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine

N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine (PubChem CID 60878379) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine
PubChem CID60878379
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine
SMILESC=C(Br)COc1ccc(CNC(C)C)cc1
InChIInChI=1S/C13H18BrNO/c1-10(2)15-8-12-4-6-13(7-5-12)16-9-11(3)14/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyGLUZVUSOQMINFM-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 60881885
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
CID 60907565
methyl 2,2-dimethyl-3-[4-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 79630272
N-[(4-but-2-ynoxyphenyl)methyl]propan-2-amine
CID 62312497
2-methyl-1-[4-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
CID 114491574
N-[[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methyl]propan-2-amine
CID 60879295
2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 106486259
N-[[3-(2-chloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60883728
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine (CID 60878379) is N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine is C=C(Br)COc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine?
The InChIKey is GLUZVUSOQMINFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(2)15-8-12-4-6-13(7-5-12)16-9-11(3)14/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine?
N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine has a molecular weight of 284.20 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60878379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).