N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine

C18H22BrNO — CID 63552547

IUPACN-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2ccc(Br)cc2)ccc1CNCC(C)C
InChIInChI=1S/C18H22BrNO/c1-13(2)11-20-12-15-4-7-18(10-14(15)3)21-17-8-5-16(19)6-9-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeyTXEKKBLHUZAQCH-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.30
Rot. Bonds6

About N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63552547) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63552547
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2ccc(Br)cc2)ccc1CNCC(C)C
InChIInChI=1S/C18H22BrNO/c1-13(2)11-20-12-15-4-7-18(10-14(15)3)21-17-8-5-16(19)6-9-17/h4-10,13,20H,11-12H2,1-3H3
InChIKeyTXEKKBLHUZAQCH-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63550899
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553106
N-[[4-(1-ethylpyrazol-4-yl)oxy-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 116802120
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296075
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine (CID 63552547) is N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine is Cc1cc(Oc2ccc(Br)cc2)ccc1CNCC(C)C.
What is the InChIKey of N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is TXEKKBLHUZAQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13(2)11-20-12-15-4-7-18(10-14(15)3)21-17-8-5-16(19)6-9-17/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63552547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).