N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine

C17H20BrNO — CID 63498401

IUPACN-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-13(2)19-11-14-6-8-15(9-7-14)12-20-17-5-3-4-16(18)10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeyUSWZYDOHDCCCLH-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.53
Rot. Bonds6

About N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine

N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine (PubChem CID 63498401) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
PubChem CID63498401
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-13(2)19-11-14-6-8-15(9-7-14)12-20-17-5-3-4-16(18)10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeyUSWZYDOHDCCCLH-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558607
N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
3-[[4-[(propan-2-ylamino)methyl]phenoxy]methyl]benzonitrile
CID 60878569
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
4-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine (CID 63498401) is N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(COc2cccc(Br)c2)cc1.
What is the InChIKey of N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is USWZYDOHDCCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(2)19-11-14-6-8-15(9-7-14)12-20-17-5-3-4-16(18)10-17/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine?
N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63498401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).