N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

C18H22BrNO — CID 43492153

IUPACN-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22BrNO/c1-4-20-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)21-13(2)3/h5-13,18,20H,4H2,1-3H3
InChIKeyPBMCGZIZDBZOHM-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.94
Rot. Bonds6

About N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 43492153) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID43492153
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22BrNO/c1-4-20-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)21-13(2)3/h5-13,18,20H,4H2,1-3H3
InChIKeyPBMCGZIZDBZOHM-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492161
N-[(5-bromo-4-methylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79977353
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63841246
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497092
N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 63832362
2-(4-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 62454236

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 43492153) is N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is PBMCGZIZDBZOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)21-13(2)3/h5-13,18,20H,4H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43492153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).