N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine

C15H24BrNO — CID 106675197

IUPACN-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-12(17-10-9-15(2,3)18-4)11-13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3
InChIKeyYNGQWKWOQZXCLF-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.78
Rot. Bonds7

About N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine

N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine (PubChem CID 106675197) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
PubChem CID106675197
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-12(17-10-9-15(2,3)18-4)11-13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3
InChIKeyYNGQWKWOQZXCLF-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 60749843
(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 103522298
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
N-[1-(4-bromophenyl)propan-2-yl]-4-methylsulfanylbutan-1-amine
CID 103087520
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
CID 103522476
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 103522246
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine (CID 106675197) is N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine?
The InChIKey is YNGQWKWOQZXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12(17-10-9-15(2,3)18-4)11-13-5-7-14(16)8-6-13/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine?
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 106675197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).