N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine

C18H22BrNO — CID 43720365

IUPACN-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(Br)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H22BrNO/c1-4-18(15-7-11-17(21-3)12-8-15)20-13(2)14-5-9-16(19)10-6-14/h5-13,18,20H,4H2,1-3H3
InChIKeyXDTHBMDWILHJJH-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.26
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine

N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 43720365) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
PubChem CID43720365
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NC(C)c1ccc(Br)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H22BrNO/c1-4-18(15-7-11-17(21-3)12-8-15)20-13(2)14-5-9-16(19)10-6-14/h5-13,18,20H,4H2,1-3H3
InChIKeyXDTHBMDWILHJJH-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
tert-butyl (3S)-3-(4-bromophenyl)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 11826211
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
1-bromo-4-[(1R,2S)-1-ethyl-2-(4-methoxyphenyl)butyl]benzene
CID 125465303
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine (CID 43720365) is N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine is CCC(NC(C)c1ccc(Br)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is XDTHBMDWILHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-18(15-7-11-17(21-3)12-8-15)20-13(2)14-5-9-16(19)10-6-14/h5-13,18,20H,4H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine?
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43720365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).