1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine

C16H18BrN — CID 79597280

IUPAC1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H18BrN/c1-18-16(10-11-6-7-11)14-8-9-15(17)13-5-3-2-4-12(13)14/h2-5,8-9,11,16,18H,6-7,10H2,1H3
InChIKeyVTXAIYLDJYRBCB-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.66
Rot. Bonds4

About 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine

1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine (PubChem CID 79597280) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
PubChem CID79597280
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H18BrN/c1-18-16(10-11-6-7-11)14-8-9-15(17)13-5-3-2-4-12(13)14/h2-5,8-9,11,16,18H,6-7,10H2,1H3
InChIKeyVTXAIYLDJYRBCB-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
2-cyclobutyl-1-(2-iodophenyl)-N-methylethanamine
CID 115863462
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83149935
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine (CID 79597280) is 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine is CNC(CC1CC1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
The InChIKey is VTXAIYLDJYRBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-18-16(10-11-6-7-11)14-8-9-15(17)13-5-3-2-4-12(13)14/h2-5,8-9,11,16,18H,6-7,10H2,1H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine?
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 79597280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).