N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine

C18H22BrNO — CID 82808490

IUPACN-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H22BrNO/c1-2-11-20-12-15-3-5-16(6-4-15)13-21-14-17-7-9-18(19)10-8-17/h3-10,20H,2,11-14H2,1H3
InChIKeyJPCITJBIVUPWCU-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.67
Rot. Bonds8

About N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine

N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 82808490) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
PubChem CID82808490
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H22BrNO/c1-2-11-20-12-15-3-5-16(6-4-15)13-21-14-17-7-9-18(19)10-8-17/h3-10,20H,2,11-14H2,1H3
InChIKeyJPCITJBIVUPWCU-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63807273
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 82828085
N-[[2-[(4-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 82831459
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382393
N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine (CID 82808490) is N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(COCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is JPCITJBIVUPWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-2-11-20-12-15-3-5-16(6-4-15)13-21-14-17-7-9-18(19)10-8-17/h3-10,20H,2,11-14H2,1H3.
What are the key properties of N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine?
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 82808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).