N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C18H22BrNO — CID 63486878

IUPACN-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H22BrNO/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyYHQIMPPOQDZDRZ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.77
Rot. Bonds7

About N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63486878) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63486878
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(OCc2ccccc2Br)c1
InChIInChI=1S/C18H22BrNO/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyYHQIMPPOQDZDRZ-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
N-[[2-[(3-bromophenoxy)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63498759
N-[[3-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486876
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
N-[[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82807232
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63055724
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
2-methyl-1-[3-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 114492020

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 63486878) is N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(OCc2ccccc2Br)c1.
What is the InChIKey of N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YHQIMPPOQDZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-14(2)11-20-12-15-6-5-8-17(10-15)21-13-16-7-3-4-9-18(16)19/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-bromophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63486878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).