(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

C17H20BrNO — CID 81353783

IUPAC(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCC1CC1c1ccc(CN[C@H](C)c2ccc(Br)cc2)o1
InChIInChI=1S/C17H20BrNO/c1-11-9-16(11)17-8-7-15(20-17)10-19-12(2)13-3-5-14(18)6-4-13/h3-8,11-12,16,19H,9-10H2,1-2H3/t11?,12-,16?/m1/s1
InChIKeyFGHFUMFVYNHDRH-BWBHSNQOSA-N
MW334.26 g/mol
LogP5.02
Rot. Bonds5

About (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (PubChem CID 81353783) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
PubChem CID81353783
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCC1CC1c1ccc(CN[C@H](C)c2ccc(Br)cc2)o1
InChIInChI=1S/C17H20BrNO/c1-11-9-16(11)17-8-7-15(20-17)10-19-12(2)13-3-5-14(18)6-4-13/h3-8,11-12,16,19H,9-10H2,1-2H3/t11?,12-,16?/m1/s1
InChIKeyFGHFUMFVYNHDRH-BWBHSNQOSA-N
XLogP5.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 62050449
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43079068
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
CID 63182317

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (CID 81353783) is (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is CC1CC1c1ccc(CN[C@H](C)c2ccc(Br)cc2)o1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The InChIKey is FGHFUMFVYNHDRH-BWBHSNQOSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-9-16(11)17-8-7-15(20-17)10-19-12(2)13-3-5-14(18)6-4-13/h3-8,11-12,16,19H,9-10H2,1-2H3/t11?,12-,16?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 81353783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).