N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine

C17H22BrNO — CID 79442534

IUPACN-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccco1)c1cccc(Br)c1
InChIInChI=1S/C17H22BrNO/c1-17(2,3)19-12-14(11-16-8-5-9-20-16)13-6-4-7-15(18)10-13/h4-10,14,19H,11-12H2,1-3H3
InChIKeyDMQTVCMNUVIJMC-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.76
Rot. Bonds5

About N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine

N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 79442534) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID79442534
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC NameN-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccco1)c1cccc(Br)c1
InChIInChI=1S/C17H22BrNO/c1-17(2,3)19-12-14(11-16-8-5-9-20-16)13-6-4-7-15(18)10-13/h4-10,14,19H,11-12H2,1-3H3
InChIKeyDMQTVCMNUVIJMC-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(furan-2-yl)-2-(3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79416841
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
N-[2-(3-bromophenyl)-3-trimethylsilylpropyl]-2-methylpropan-2-amine
CID 106323819
N-[2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propyl]-2-methylpropan-2-amine
CID 79430849
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79437864
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
1-[1-(3-bromophenyl)ethyl]-3-[1-(furan-2-yl)propan-2-yl]urea
CID 55629678
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine (CID 79442534) is N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(Cc1ccco1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is DMQTVCMNUVIJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-17(2,3)19-12-14(11-16-8-5-9-20-16)13-6-4-7-15(18)10-13/h4-10,14,19H,11-12H2,1-3H3.
What are the key properties of N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 336.27 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79442534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).