N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine

C19H24BrN — CID 43491265

IUPACN-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ccccc1Br
InChIInChI=1S/C19H24BrN/c1-5-21-18(16-8-6-7-9-17(16)20)14-10-12-15(13-11-14)19(2,3)4/h6-13,18,21H,5H2,1-4H3
InChIKeyPWOOUSZKCNKMOO-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.45
Rot. Bonds4

About N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine

N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine (PubChem CID 43491265) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
PubChem CID43491265
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ccccc1Br
InChIInChI=1S/C19H24BrN/c1-5-21-18(16-8-6-7-9-17(16)20)14-10-12-15(13-11-14)19(2,3)4/h6-13,18,21H,5H2,1-4H3
InChIKeyPWOOUSZKCNKMOO-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492861
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(4-tert-butylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43493260
N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine (CID 43491265) is N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine is CCNC(c1ccc(C(C)(C)C)cc1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine?
The InChIKey is PWOOUSZKCNKMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-21-18(16-8-6-7-9-17(16)20)14-10-12-15(13-11-14)19(2,3)4/h6-13,18,21H,5H2,1-4H3.
What are the key properties of N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine?
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).