3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine

C16H18BrNO — CID 170867815

IUPAC3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
SMILESNCCCc1cccc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO/c17-15-8-6-14(7-9-15)12-19-16-5-1-3-13(11-16)4-2-10-18/h1,3,5-9,11H,2,4,10,12,18H2
InChIKeyBPMYUGSADYRDJE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.92
Rot. Bonds6

About 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine

3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 170867815) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
PubChem CID170867815
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
SMILESNCCCc1cccc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO/c17-15-8-6-14(7-9-15)12-19-16-5-1-3-13(11-16)4-2-10-18/h1,3,5-9,11H,2,4,10,12,18H2
InChIKeyBPMYUGSADYRDJE-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 54930992
2-[4-(3-phenylmethoxyphenyl)butyl]guanidine
CID 158768740
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
6-[3-(pyridin-4-ylmethoxy)phenyl]hexan-1-ol;hydrochloride
CID 70510799
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-5-chloro-2-methylaniline
CID 126127108
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine (CID 170867815) is 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine is NCCCc1cccc(OCc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is BPMYUGSADYRDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c17-15-8-6-14(7-9-15)12-19-16-5-1-3-13(11-16)4-2-10-18/h1,3,5-9,11H,2,4,10,12,18H2.
What are the key properties of 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine?
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170867815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).