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

C18H22BrNO — CID 82807557

IUPACN-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H22BrNO/c1-14(2)20-11-15-6-8-16(9-7-15)12-21-13-17-4-3-5-18(19)10-17/h3-10,14,20H,11-13H2,1-2H3
InChIKeyXOVVATFSQPWDEV-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.66
Rot. Bonds7

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

N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 82807557) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
PubChem CID82807557
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H22BrNO/c1-14(2)20-11-15-6-8-16(9-7-15)12-21-13-17-4-3-5-18(19)10-17/h3-10,14,20H,11-13H2,1-2H3
InChIKeyXOVVATFSQPWDEV-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
1-bromo-3-(4-methylpentoxymethyl)benzene
CID 55219648
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
1-bromo-3-(propoxymethyl)benzene
CID 57057286
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine (CID 82807557) is N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(COCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is XOVVATFSQPWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-14(2)20-11-15-6-8-16(9-7-15)12-21-13-17-4-3-5-18(19)10-17/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine?
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 82807557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).