1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine

C16H18BrNO — CID 79597072

IUPAC1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1ccc(Br)c2ccccc12)C1CCOC1
InChIInChI=1S/C16H18BrNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11,16,18H,8-10H2,1H3
InChIKeyLGECNIFOYNDOQP-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.90
Rot. Bonds3

About 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 79597072) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID79597072
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1ccc(Br)c2ccccc12)C1CCOC1
InChIInChI=1S/C16H18BrNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11,16,18H,8-10H2,1H3
InChIKeyLGECNIFOYNDOQP-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330415
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229
(4-bromonaphthalen-1-yl)-(oxan-4-yl)methanamine
CID 79597275
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 79597280
N-methyl-1-(2-methylfuran-3-yl)-1-(oxolan-3-yl)methanamine
CID 104789944
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276605
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 81141916
1-(2-bromo-3-methylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 114024257
3-[1-(2-bromophenyl)ethyl]oxolane
CID 115047473

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 79597072) is 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1ccc(Br)c2ccccc12)C1CCOC1.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is LGECNIFOYNDOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-18-16(11-8-9-19-10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11,16,18H,8-10H2,1H3.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 320.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 79597072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).