N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine

C19H22BrN — CID 63509295

IUPACN-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)C1CCCc2ccccc21
InChIInChI=1S/C19H22BrN/c1-2-21-19(15-10-12-16(20)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-19,21H,2,5,7,9H2,1H3
InChIKeyXINJYLUDKIRBKA-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.22
Rot. Bonds4

About N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine

N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine (PubChem CID 63509295) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
PubChem CID63509295
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC NameN-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)C1CCCc2ccccc21
InChIInChI=1S/C19H22BrN/c1-2-21-19(15-10-12-16(20)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-19,21H,2,5,7,9H2,1H3
InChIKeyXINJYLUDKIRBKA-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
CID 65404758
N-methyl-1-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718728
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65404174
N-[2,3-dihydro-1H-inden-1-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 65403782
2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 64774222
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
N-methyl-1-pyrimidin-5-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63250535
N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79575553

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine (CID 63509295) is N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)C1CCCc2ccccc21.
What is the InChIKey of N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
The InChIKey is XINJYLUDKIRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-2-21-19(15-10-12-16(20)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-19,21H,2,5,7,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine has a molecular weight of 344.30 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 63509295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).